SCHEMBL6984033

SCHEMBL6984033

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NR3C1 P04150 7/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PTPN11 Q06124 1/20 0.45
PKM P14618 1/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 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
SCHEMBL6984755 0.91 TP53 (0.56) TP53LMNAMAPTSMN1; SMN2NR3C1
SCHEMBL6985317 0.91 NR3C1 (0.58) TP53LMNAMAPTSMN1; SMN2NR3C1
SCHEMBL6986216 0.90 KMT2A (0.56) TP53LMNAMAPTSMN1; SMN2NR3C1
SCHEMBL6977495 0.90 SMN1; SMN2 (0.49) TP53LMNAMAPTSMN1; SMN2NR3C1
SCHEMBL6977969 0.89 NR3C1 (0.56) TP53MAPTSMN1; SMN2NR3C1KMT2A
SCHEMBL6985340 0.88 NR3C1 (0.52) LMNAMAPTSMN1; SMN2NR3C1KMT2A
SCHEMBL6978212 0.87 TRIM24 (0.48) TP53SMN1; SMN2NR3C1KMT2AMEN1
SCHEMBL6982947 0.87 MEN1 (0.47) TP53LMNAMAPTSMN1; SMN2NR3C1
SCHEMBL6982160 0.87 NR3C1 (0.61) LMNAMAPTSMN1; SMN2NR3C1KMT2A
SCHEMBL6985865 0.86 MAPT (0.56) TP53LMNAMAPTSMN1; SMN2NR3C1

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