SCHEMBL6984100

SCHEMBL6984100

CCOC(=O)Cc1ccccc1CNc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOTUM Q6P988 1/20 0.40
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP14 P54578 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AVPR2 P30518 1/20 0.37
EGFR P00533 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL6985994 0.88 POLB (0.43) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6980091 0.88 TP53 (0.40) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6976282 0.87 TP53 (0.44) TP53NOTUMFPR1FPR2NPC1
SCHEMBL6987762 0.87 BRD4 (0.48) TP53MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL7090378 0.86 TP53 (0.47) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6976631 0.83 HSD17B3 (0.46) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6979870 0.83 RAB9A (0.44) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6977731 0.82 TP53 (0.45) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6976871 0.81 FFAR1 (0.49) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6977072 0.79 FPR1 (0.39) TP53MEN1KMT2AFPR1FPR2

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 2 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