SCHEMBL8027045

SCHEMBL8027045

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)CC3CCCCC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.45
CNR2 P34972 1/20 0.44
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACSL1 P33121 1/20 0.41
PAX8 Q06710 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
AURKA O14965 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL8029893 0.99 F2 (0.46) F2CNR2LMNAUSP2PKM
SCHEMBL6635980 0.88 SMN1; SMN2 (0.42) F2LMNAUSP2PKMSMN1; SMN2
SCHEMBL6635646 0.88 PPARG (0.43) F2CNR2LMNAUSP2PKM
Hydrochloric Acid SCHEMBL8027015 0.83 F2 (0.65) F2NPC1
SCHEMBL8026562 0.83 F2 (0.67) F2
SCHEMBL8027395 0.83 F2 (0.52) F2LMNASMN1; SMN2PAX8POLB
Hydrochloric Acid SCHEMBL8028460 0.82 F2 (0.66) F2
SCHEMBL8026422 0.82 F2 (0.55) F2LMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL8032933 0.80 F2 (0.53) F2LMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL8027058 0.79 F2 (0.70) F2LMNAPKMSMN1; SMN2ALDH1A1

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