SCHEMBL8545929

SCHEMBL8545929

COC(=O)CCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HTR7 P34969 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 1/20 0.43
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL7928062 0.92 ALOX5 (0.47) KRASMTNR1AMTNR1BHTR7MEN1
SCHEMBL2872712 0.90 HTR7 (0.57) MTNR1AMTNR1BHTR7MEN1KMT2A
SCHEMBL7417377 0.88 MAPT (0.49) KRASMEN1KMT2AMAPTALDH1A1
SCHEMBL14876295 0.87 ATM (0.55) KRASMTNR1AMTNR1BMEN1KMT2A
SCHEMBL30672858 0.82 PLG (0.46) KRASHTR7KMT2APLGPLAU
SCHEMBL2124040 0.82 PLG (0.46) KRASHTR7KMT2APLGPLAU
SCHEMBL9479096 0.81 HTR7 (0.53) MTNR1AMTNR1BHTR7MEN1KMT2A
SCHEMBL6384442 0.80 MTNR1A (0.48) MTNR1AMTNR1BMAPK1ALOX5EPHX2
SCHEMBL19148282 0.80 MTNR1A (0.64) MTNR1AMTNR1BMEN1KMT2ANPC1
SCHEMBL31735444 0.80 MEN1 (0.46) KRASMTNR1AMTNR1BHTR7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed