SCHEMBL9414595

SCHEMBL9414595

O=C(Oc1n[nH]c(=O)c2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ PARP1 P09874 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MAPK1 P28482 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL6236381 0.85 LMNA (0.53) KMT2APARP1MAPK1KDM4ELMNA
SCHEMBL9675030 0.81 PARP1 (0.53) KMT2APARP1MAPK1KDM4ELMNA
SCHEMBL1542104 0.78 SMN1; SMN2 (0.55) KMT2AMAPK1KDM4ELMNAALDH1A1
SCHEMBL8767256 0.76 SMN1; SMN2 (0.57) KMT2APARP1MAPK1KDM4ELMNA
SCHEMBL15002455 0.75 AKR1C3 (0.55) PARP1MAPK1LMNA
SCHEMBL28917493 0.74 SMN1; SMN2 (0.50) KMT2AMAPK1KDM4ELMNAALDH1A1
SCHEMBL8213702 0.73 PDE4A (0.54) PARP1MAPK1LMNAALDH1A1POLB
SCHEMBL15001764 0.72 MRGPRX4 (0.55) KMT2APARP1SMN1; SMN2
SCHEMBL16488685 0.71 PARP1 (0.52) PARP1KDM4E
SCHEMBL17356392 0.71 PARP1 (0.52) KMT2APARP1MAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4400509-A WITH HEXAMETHYLDISILANE WITH AN ORGANONITROGEN CATALYST GIST-BROCADES N.V. (NL) 1983-08-23 — — US claimed
EP-0043630-A2 Improved process for the silylation of organic compounds with 1,1,1-trimethyl-N-(trimethylsilyl)silanamine by means of catalysis with certain nitrogen containing compounds GIST-BROCADES N.V. (NL) 1982-01-13 — — EP claimed
EP-0611770-A2 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1994-08-24 — — EP disclosed
US-5084568-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1992-01-28 — — US disclosed
US-5013854-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1991-05-07 — — US disclosed
EP-0381451-A1 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1990-08-08 — — EP disclosed
US-4400509-A WITH HEXAMETHYLDISILANE WITH AN ORGANONITROGEN CATALYST GIST-BROCADES N.V. (NL) 1983-08-23 — — US disclosed
US-4379923-A Preparation of 7-acylamino-3-(thio-substituted)-methyl 3-cephem-4-carboxylic acid-1-oxide derivatives GIST-BROCADES N.V. (NL) 1983-04-12 — — US disclosed
EP-0047560-A2 Process for the preparation of 7-acylamino-3-(thio-substituted)methyl-3-cephem-4-carboxylic acid 1-oxide derivatives GIST-BROCADES N.V. (NL) 1982-03-17 — — EP disclosed
EP-0043630-A2 Improved process for the silylation of organic compounds with 1,1,1-trimethyl-N-(trimethylsilyl)silanamine by means of catalysis with certain nitrogen containing compounds GIST-BROCADES N.V. (NL) 1982-01-13 — — EP disclosed
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