SCHEMBL6563686

SCHEMBL6563686

Cc1cc(C(=O)N2CCOCC2)ccc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL7671074 0.91 F10 (0.43) F10HPGDALDH1A1GAAKMT2A
SCHEMBL6561944 0.83 F10 (0.43) F10HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL6565221 0.83 SMN1; SMN2 (0.41) F10HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL6565356 0.80 GAA (0.42) F10HPGDALDH1A1GAAKMT2A
SCHEMBL6563662 0.80 F10 (0.41) F10HPGDGAAKMT2A
SCHEMBL7678092 0.77 F2 (0.40) F10HPGDALDH1A1RAB9A
SCHEMBL6563617 0.77 PIK3CA (0.37) F10
SCHEMBL6565941 0.75 F10 (0.47) F10HPGDALDH1A1KDM4E
SCHEMBL6563675 0.75 F10 (0.47) F10HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL6563568 0.74 CNR2 (0.39) HPGDGAAKMT2ANAMPTHTT

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