SCHEMBL6024776

SCHEMBL6024776

CCC/C(=C/c1c[nH]c2ccc(Cl)cc12)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ RXFP3 Q9NSD7 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PYGL P06737 1/20 0.38

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
SCHEMBL6024778 1.00 F7 (0.42) F7F3GPR84NR4A2KDM4E
SCHEMBL7960473 0.82 KMT2A (0.58) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL18426521 0.82 KMT2A (0.58) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL11842039 0.82 F7 (0.46) F7F3GPR84NR4A2KDM4E
SCHEMBL6024127 0.82 KMT2A (0.58) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL12113193 0.82 F7 (0.46) F7F3GPR84NR4A2KDM4E
SCHEMBL11842043 0.82 F7 (0.46) F7F3GPR84NR4A2KDM4E
SCHEMBL274251 0.74 KMT2A (0.61) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL18425978 0.74 KMT2A (0.61) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL7260095 0.73 FBP1 (0.56) ALDH1A1KMT2AMAPT

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
EP-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 — — EP disclosed
US-6214859-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS FUJIMOTO BROTHERS CO., LTD. (JP) 2001-04-10 — — US disclosed
EP-0957080-A1 NOVEL ETHYLAMINE DERIVATIVES Fujimoto Brothers Co., Ltd. (JP) 1999-11-17 — — EP disclosed
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