SCHEMBL8028091

SCHEMBL8028091

O=C(c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.60
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
LMNA P02545 3/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
HTT P42858 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MC4R P32245 1/20 0.48
MDM2 Q00987 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4437669 0.93 VCAM1 (0.66) VCAM1KMT2AALDH1A1MAPTLMNA
SCHEMBL6469075 0.83 HCAR3 (0.46) VCAM1KMT2AALDH1A1MAPTLMNA
SCHEMBL18576169 0.80 TSHR (0.59) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL11249148 0.80 KMT2A (0.60) VCAM1KMT2AALDH1A1MAPTLMNA
SCHEMBL8027370 0.80 HCAR3 (0.62) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL10383535 0.78 SMN1; SMN2 (0.63) VCAM1KMT2AALDH1A1MAPTHPGD
SCHEMBL10473820 0.78 VCAM1 (0.54) VCAM1KMT2AALDH1A1MAPTLMNA
SCHEMBL4089988 0.77 HTT (0.57) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL1258621 0.76 VCAM1 (1.00) VCAM1KMT2AALDH1A1MAPTLMNA
SCHEMBL27320980 0.75 KMT2A (0.61) KMT2AALDH1A1MEN1

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed