SCHEMBL6986216

SCHEMBL6986216

Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CCc2ccc(C#N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NR3C1 P04150 4/20 0.50
PKM P14618 1/20 0.49
MEN1 O00255 3/20 0.48
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 3/20 0.47
RORC P51449 1/20 0.47
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
TRIM24 O15164 1/20 0.45

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
SCHEMBL6985746 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NR3C1PKMMEN1
SCHEMBL6985317 0.91 NR3C1 (0.58) KMT2ASMN1; SMN2NR3C1MEN1TP53
SCHEMBL6977495 0.90 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NR3C1PKMMEN1
SCHEMBL6984033 0.90 TP53 (0.56) KMT2ASMN1; SMN2NR3C1PKMMEN1
SCHEMBL6977969 0.89 NR3C1 (0.56) KMT2ASMN1; SMN2NR3C1MEN1TP53
SCHEMBL6985340 0.88 NR3C1 (0.52) KMT2ASMN1; SMN2NR3C1PKMMEN1
SCHEMBL6982160 0.87 NR3C1 (0.61) KMT2ASMN1; SMN2NR3C1PKMMEN1
SCHEMBL6983591 0.87 BRD4 (0.50) KMT2ASMN1; SMN2NR3C1PKMMEN1
Hydrochloric Acid SCHEMBL7403126 0.86 KMT2A (0.53) KMT2ASMN1; SMN2NR3C1PKMMEN1
SCHEMBL6977631 0.86 BRD4 (0.56) SMN1; SMN2NR3C1PKMTP53MAPT

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