SCHEMBL7958428

SCHEMBL7958428

CCN(C(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.45
AVPR2 P30518 2/20 0.43
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6981025 0.92 MEN1 (0.57) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL7960198 0.92 MEN1 (0.43) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL6978699 0.90 POLB (0.48) MEN1KMT2ANPC1TP53TSHR
SCHEMBL6980414 0.89 TP53 (0.44) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL7948560 0.88 TP53 (0.43) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL6986538 0.87 TP53 (0.49) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL6977395 0.84 TP53 (0.46) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL6984361 0.83 PTGER4 (0.39) MEN1KMT2ANPC1TP53AVPR2
SCHEMBL7956609 0.82 NR3C1 (0.44) MEN1KMT2ANPC1TP53TSHR
SCHEMBL7407025 0.82 NR3C1 (0.45) MEN1KMT2ANPC1TP53TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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