SCHEMBL3422964

SCHEMBL3422964

CC(C)Oc1ccc(-c2ccc(C=O)cn2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.52
S1PR1 P21453 12/20 0.44
S1PR3 Q99500 1/20 0.44
CSNK2A1 P68400 2/20 0.43
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
RORC P51449 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCD Q05655 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
P2RX3 P56373 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
SCHEMBL4621426 0.82 ALDH1A1 (0.46) KMOS1PR1
SCHEMBL9361798 0.79 THRA (0.43) S1PR1S1PR3
SCHEMBL9357514 0.79 THRA (0.43) S1PR1S1PR3
SCHEMBL9361624 0.79 THRA (0.43) S1PR1S1PR3
SCHEMBL5867386 0.79 ALDH1A1 (0.53) KMO
SCHEMBL4622962 0.79 S1PR1 (0.35) KMOS1PR1
SCHEMBL566457 0.79 ALDH1A1 (0.52) KMOS1PR1S1PR3CSNK2A1RORC
SCHEMBL15194032 0.78 S1PR1 (0.52) KMOS1PR1S1PR3
SCHEMBL3423534 0.78 ALDH1A3 (0.62) MAP4K4
SCHEMBL3427111 0.77 MYC (0.51)

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-2010024783-A1 BIARYLRHODANINE AND PYRIDYLRHODANINE COMPOUNDS AND THEIR USE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-03-04 WO disclosed