Sugi Predict

Sugi Predict / Compounds / SCHEMBL4633923

SCHEMBL4633923

SCHEMBL4633923

Cc1cncc(C)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TSHR P16473 6/20 0.43
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29735720 0.98 ALDH1A1 (0.54) ALDH1A1TDP1TSHRHSD17B10MEN1
SCHEMBL31481303 0.85 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL29301459 0.85 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHSD17B10MEN1
SCHEMBL31553067 0.85 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHSD17B10MEN1
SCHEMBL19765250 0.85 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMEN1KMT2A
Ethoxycarbonyl Group SCHEMBL28078703 0.80 ALDH1A1 (0.39) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL2475362 0.80 TSHR (0.41) ALDH1A1TDP1TSHRPKM
SCHEMBL31093806 0.75 TSHR (0.50) ALDH1A1TDP1TSHRHSD17B10MEN1
SCHEMBL28072926 0.75 TSHR (0.50) ALDH1A1TDP1TSHRHSD17B10MEN1
SCHEMBL15871956 0.74 MAPT (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805193-B Preparation method of omeprazole intermediate 南京红太阳医药研究院有限公司 2023-06-20 — — CN claimed
CN-114805193-A Preparation method of omeprazole intermediate 南京红太阳医药研究院有限公司 2022-07-29 — — CN claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 — — EP claimed
CN-121537337-A Preparation method of 2-chloromethyl-4-methoxy-3, 5-dimethylpyridine hydrochloride 江苏中邦制药有限公司 2026-02-17 — — CN disclosed
CN-114805193-B Preparation method of omeprazole intermediate 南京红太阳医药研究院有限公司 2023-06-20 — — CN disclosed
CN-114805193-A Preparation method of omeprazole intermediate 南京红太阳医药研究院有限公司 2022-07-29 — — CN disclosed
CN-114805193-A Preparation method of omeprazole intermediate 南京红太阳医药研究院有限公司 2022-07-29 — — CN disclosed
CN-105793236-B Dimethylbenzoic acid compound 伊莱利利公司 2017-10-10 — — CN disclosed
CN-100525763-C Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2009-08-12 — — CN disclosed
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 — — EP disclosed
WO-2007041630-A1 DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-04-12 — — WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 — — WO disclosed
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 — — CN disclosed
EP-1005457-A1 PREPARATION OF PYRIDINE DERIVATIVES Seal Sands Chemicals Limited (GB) 2000-06-07 — — EP disclosed
WO-1999010326-A1 PREPARATION OF PYRIDINE DERIVATIVES SEAL SANDS CHEMICALS LIMITED (GB) 1999-03-04 — — WO disclosed
Send feedback