SCHEMBL11043537

SCHEMBL11043537

C=CCn1cnc(-c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ GFER P55789 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ APOBEC3A P31941 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 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
SCHEMBL11366141 0.76 ATM (0.42) ALDH1A1TDP1POLBLMNAHPGD
SCHEMBL10551128 0.75 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2APTPN1
SCHEMBL11050925 0.74 ALDH1A1 (0.49) ALDH1A1GFERTDP1POLBMEN1
SCHEMBL11217270 0.72 HDAC1 (0.46) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL11043921 0.71 ALDH1A1 (0.49) ALDH1A1GFERTDP1POLBMEN1
SCHEMBL11046318 0.71 ALDH1A1 (0.55) ALDH1A1GFERTDP1POLBMEN1
SCHEMBL10556278 0.71 ALDH1A1 (0.55) ALDH1A1GFERTDP1POLBMEN1
SCHEMBL11043863 0.71 ALDH1A1 (0.55) ALDH1A1GFERTDP1POLBMEN1
SCHEMBL10554685 0.68 ALDH1A1 (0.44) ALDH1A1GFERTDP1POLBMEN1
SCHEMBL26931418 0.68 RAB9A (0.37) ALDH1A1TDP1MEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 — — US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 — — US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 — — EP disclosed
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