SCHEMBL6977495

SCHEMBL6977495

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4cccc(Br)c4)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NR3C1 P04150 8/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
TRIM24 O15164 1/20 0.43
RORC P51449 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL6985865 0.91 MAPT (0.56) SMN1; SMN2NR3C1LMNATP53MAPT
SCHEMBL6985317 0.91 NR3C1 (0.58) SMN1; SMN2NR3C1LMNATP53MAPT
SCHEMBL6984033 0.90 TP53 (0.56) SMN1; SMN2NR3C1LMNATP53MAPT
SCHEMBL6986216 0.90 KMT2A (0.56) SMN1; SMN2NR3C1LMNATP53MAPT
SCHEMBL6977969 0.89 NR3C1 (0.56) SMN1; SMN2NR3C1TP53MAPTKMT2A
SCHEMBL6985340 0.88 NR3C1 (0.52) SMN1; SMN2NR3C1LMNAMAPTKMT2A
SCHEMBL6982160 0.87 NR3C1 (0.61) SMN1; SMN2NR3C1LMNAMAPTKMT2A
SCHEMBL6985746 0.86 KMT2A (0.56) SMN1; SMN2NR3C1LMNATP53MAPT
SCHEMBL6984755 0.86 TP53 (0.56) SMN1; SMN2NR3C1LMNATP53MAPT
SCHEMBL6982759 0.86 BRD4 (0.53) SMN1; SMN2NR3C1LMNATP53MAPT

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed