SCHEMBL9974291

SCHEMBL9974291

CCCc1cccc(C(C)CC)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
CTSS P25774 5/20 0.35
CTSK P43235 5/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL18949052 0.86 SYK (0.40) KCNH2NOS1NOS2TSHR
SCHEMBL9974287 0.85 KCNH2 (0.47) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL15318642 0.85 TSHR (0.35) KCNH2NOS1NOS2TSHRCXCR4
SCHEMBL10147431 0.83 KCNH2 (0.46) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL3631871 0.82 TSHR (0.41) KCNH2TSHRALDH1A1GAAHPGD
SCHEMBL15316714 0.81 GABRA1 (0.34) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL20436438 0.81 TSHR (0.37) KCNH2TSHR
SCHEMBL21117196 0.79 MEN1 (0.35) KCNH2TSHRALDH1A1
SCHEMBL8297334 0.79 HTT (0.43) NOS2TSHRKDM4EALDH1A1HPGD
SCHEMBL22298877 0.79 HTT (0.43) NOS2TSHRKDM4EALDH1A1HPGD

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
WO-2012082689-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-06-21 WO disclosed