SCHEMBL6982819

SCHEMBL6982819

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(Cl)s4)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
LMNA P02545 1/20 0.44
NR3C1 P04150 9/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6986016 0.87 POLB (0.49) POLBSMN1; SMN2BRD4CREBBPLMNA
Hydrochloric Acid SCHEMBL6985280 0.86 POLB (0.48) POLBSMN1; SMN2BRD4CREBBPLMNA
SCHEMBL6984755 0.86 TP53 (0.56) SMN1; SMN2LMNANR3C1TP53MEN1
SCHEMBL6985317 0.84 NR3C1 (0.58) SMN1; SMN2LMNANR3C1TP53MEN1
SCHEMBL6978212 0.84 TRIM24 (0.48) SMN1; SMN2BRD4CREBBPNR3C1TP53
SCHEMBL6984033 0.84 TP53 (0.56) POLBSMN1; SMN2LMNANR3C1TP53
SCHEMBL6982947 0.84 MEN1 (0.47) SMN1; SMN2BRD4CREBBPLMNANR3C1
SCHEMBL6982821 0.83 MAPT (0.41) POLBSMN1; SMN2LMNATP53MEN1
SCHEMBL6985746 0.82 KMT2A (0.56) SMN1; SMN2BRD4CREBBPLMNANR3C1
SCHEMBL6985865 0.82 MAPT (0.56) SMN1; SMN2LMNANR3C1TP53MEN1

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