SCHEMBL6563675

SCHEMBL6563675

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.47
PRSS1 P07477 4/20 0.47
ACACB O00763 3/20 0.47
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
HPGD P15428 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL6563450 0.99 F10 (0.48) F10PRSS1ACACBITGB3ITGA2B
SCHEMBL6565941 0.98 F10 (0.47) F10PRSS1ACACBITGB3ITGA2B
SCHEMBL7676583 0.91 GRM5 (0.54) ACACBITGB3ITGA2BHPGDMEN1
SCHEMBL6565248 0.89 GRM5 (0.56) ITGB3ITGA2BHPGDALDH1A1KMT2A
SCHEMBL5885913 0.88 F10 (0.52) F10PRSS1ACACBHPGDALDH1A1
Hydrochloric Acid SCHEMBL5885501 0.87 F10 (0.52) F10PRSS1ACACBHPGDALDH1A1
SCHEMBL6561958 0.87 ACACB (0.49) F10PRSS1ACACBHPGDMEN1
SCHEMBL6565351 0.86 F10 (0.44) F10PRSS1ACACB
SCHEMBL6563119 0.85 ACACB (0.49) ACACBHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL6563220 0.85 HPGD (0.44) F10PRSS1ACACBHPGDL3MBTL1

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed