SCHEMBL28176921

SCHEMBL28176921

CC(C)(C#N)Cc1ccc(N=O)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ NR1H2 P55055 1/20 0.30
▸ TRPV4 Q9HBA0 1/20 0.30
▸ AR P10275 1/20 0.30
▸ POLQ O75417 1/20 0.30

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
SCHEMBL19461387 0.79 NR1H2 (0.48) SLC6A2SLC6A4RXRARXRBRXRG
SCHEMBL28175925 0.77 KDM4E (0.38) RXRARXRBRXRGARPOLQ
SCHEMBL28175966 0.76 AR (0.36) TRPV4AR
SCHEMBL17593408 0.75 PDE7A (0.43) SLC6A2SLC6A4AR
SCHEMBL28155357 0.75 SIRT2 (0.39) RXRARXRBRXRGPOLQ
SCHEMBL19073460 0.73 IDO1 (0.34) POLQ
SCHEMBL4402110 0.70 AR (0.51) RXRARXRBRXRGAR
SCHEMBL28176917 0.70 RXRA (0.44) RXRARXRBRXRGPOLQ
SCHEMBL14549279 0.69 IDO1 (0.34) —
SCHEMBL28175906 0.68 FFAR4 (0.43) RXRARXRBRXRG

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
CN-107250110-A The noval chemical compound of (RET) inhibitor is reset as transfection 葛兰素史克知识产权发展有限公司 2017-10-13 — — CN disclosed
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