SCHEMBL10998992

SCHEMBL10998992

COc1cccc(C(F)(F)F)c1NC(=O)N=C1SCCN1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.51
▸ TSHR P16473 3/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ SLC6A9 P48067 1/20 0.37
▸ POLB P06746 4/20 0.36
▸ TP53 P04637 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 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
SCHEMBL10993528 0.90 GRM5 (0.58) GRM5TSHRPOLBTP53MEN1
SCHEMBL10994198 0.89 GRM5 (0.59) GRM5TSHRPABPC1POLBMEN1
SCHEMBL10994194 0.89 GRM5 (0.59) GRM5TSHRPABPC1POLBMEN1
SCHEMBL10994676 0.87 ATM (0.38) GRM5TSHRSLC6A9POLBTP53
SCHEMBL10990477 0.86 GRM5 (0.54) GRM5TSHRPOLBTP53MEN1
SCHEMBL10998692 0.86 GRM5 (0.59) GRM5TP53LMNA
SCHEMBL10991240 0.85 GRM5 (0.55) GRM5TSHRPABPC1POLBMEN1
SCHEMBL10991224 0.84 GRM5 (0.59) GRM5TSHRPABPC1POLBMEN1
SCHEMBL10988804 0.80 GRM5 (0.54) GRM5TSHRPOLBMEN1KMT2A
SCHEMBL10988801 0.80 GRM5 (0.54) GRM5TSHRPOLBMEN1KMT2A

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
US-4542144-A EPILEPSY MCNEILAB INC. (US) 1985-09-17 — — US disclosed
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