SCHEMBL6565487

SCHEMBL6565487

N#Cc1ccc(NCC#Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
AR P10275 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 2/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 1/20 0.39
KDM1A O60341 1/20 0.39
EEF2K O00418 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
SCHEMBL6563318 0.89 BCHE (0.49) MAPTALDH1A1GAAPKMNAMPT
SCHEMBL28944597 0.84 GRM5 (0.47) KDM4EALDH1A1GAATSHR
SCHEMBL6565837 0.81 CYP1A1 (0.44) TSHR
SCHEMBL6563916 0.81 TMPRSS6 (0.47) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL161783 0.79 HTR6 (0.61) MAPTCYP19A1TSHRCA1CA2
SCHEMBL6563532 0.78 ALDH1A1 (0.44) MAPTALDH1A1LMNAHPGD
SCHEMBL6561856 0.78 LMNA (0.47) MAPTCYP19A1KDM4ELMNAPKM
SCHEMBL6563265 0.76 ALDH1A1 (0.55) MAPTALDH1A1LMNACA1CA2
SCHEMBL6565878 0.74 ABCG2 (0.42) ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL6563594 0.74 KMT2A (0.51) MAPTKDM4EALDH1A1PKMHPGD

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