SCHEMBL7948560

SCHEMBL7948560

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EP300 Q09472 2/20 0.37
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 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
SCHEMBL6984198 0.90 TP53 (0.44) TP53MEN1KMT2ANPC1TMEM97
Hydrochloric Acid SCHEMBL6984563 0.89 F2 (0.40) TP53NPC1THRBALDH1A1AVPR2
SCHEMBL7960198 0.88 MEN1 (0.43) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL7958428 0.88 MEN1 (0.46) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL6981025 0.87 MEN1 (0.57) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL6978699 0.84 POLB (0.48) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL6980414 0.84 TP53 (0.44) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL6980215 0.83 TP53 (0.42) TP53MEN1KMT2ANPC1TMEM97
SCHEMBL6984356 0.80 SMN1; SMN2 (0.53) TP53NPC1TMEM97SIGMAR1HDAC1
SCHEMBL7948557 0.80 TP53 (0.45) TP53MEN1KMT2ATHRBALDH1A1

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