SCHEMBL6985487

SCHEMBL6985487

N#Cc1ccc(CCC(=O)N2CCCc3cc(N4CCCCC4=O)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RORC P51449 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ACACB O00763 1/20 0.39
F10 P00742 3/20 0.39
HTR1A P08908 2/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL6979360 0.99 TP53 (0.42) TP53MEN1ALDH1A1KMT2AUSP2
Hydrochloric Acid SCHEMBL7407544 0.84 ITGB3 (0.43) ALDH1A1HPGDPOLBF10NPC1
SCHEMBL7959087 0.83 TP53 (0.48) TP53MEN1ALDH1A1KMT2AUSP2
SCHEMBL6979722 0.83 TP53 (0.48) TP53MEN1ALDH1A1KMT2AUSP2
Hydrochloric Acid SCHEMBL6986625 0.83 ITGB3 (0.44) ALDH1A1POLBF10NPC1RAB9A
SCHEMBL6985490 0.82 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AUSP2HPGD
SCHEMBL6979364 0.80 ALDH1A1 (0.41) TP53MEN1ALDH1A1KMT2AUSP2
SCHEMBL6978707 0.80 MAPT (0.58) TP53MEN1ALDH1A1KMT2AUSP2
SCHEMBL6979462 0.80 MAPT (0.58) TP53MEN1ALDH1A1KMT2AUSP2
SCHEMBL6981826 0.79 PDK1 (0.52) TP53MEN1ALDH1A1KMT2AUSP2

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