SCHEMBL21097251

SCHEMBL21097251

FC(F)(F)c1ccc(-c2ncc3c(n2)CCSC3)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 7/20 0.68
▸ TNKS O95271 6/20 0.48
▸ PARP1 P09874 5/20 0.48
▸ PARP2 Q9UGN5 4/20 0.48
▸ WNT3A P56704 3/20 0.48
▸ PARP14 Q460N5 1/20 0.48
▸ PARP4 Q9UKK3 1/20 0.48
▸ AXIN2 Q9Y2T1 1/20 0.48
▸ PARP3 Q9Y6F1 1/20 0.48
▸ CCNT1 O60563 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ HTR2C P28335 2/20 0.35
▸ TRPV3 Q8NET8 3/20 0.35
▸ S1PR1 P21453 3/20 0.34

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
SCHEMBL29411302 0.75 TNKS2 (0.56) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL15315468 0.75 TNKS2 (0.56) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL11186819 0.74 TRPV1 (0.46) TNKS2TRPV3HRH4
Hydrochloric Acid SCHEMBL30613776 0.72 HTR2C (0.67) TNKS2TNKSPARP1WNT3AHTR2C
SCHEMBL11190992 0.71 MAPT (0.39) TNKS2TRPV3
SCHEMBL11192162 0.69 TRPV3 (0.37) TRPV3
SCHEMBL30613768 0.69 MAPK1 (0.45) CDK2HTR2C
SCHEMBL30613811 0.69 NAAA (0.36) TNKS2HTR2CTRPV3S1PR1HRH4
SCHEMBL11179410 0.68 DRD2 (0.36) TRPV3
SCHEMBL11187581 0.67 GAA (0.37) TRPV3S1PR1

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
EP-3498824-A1 CORTICAL INTERNEURONS AND OTHER NEURONAL CELLS PRODUCED BY THE DIRECTED DIFFERENTIATION OF PLURIPOTENT AND MULTIPOTENT CELLS Memorial Sloan-Kettering Cancer Center (US) 2019-06-19 — — EP disclosed
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