SCHEMBL2719491

SCHEMBL2719491

Nc1cccnc1Cc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PNP P00491 3/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36

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
SCHEMBL9044086 0.79 PARP1 (0.41) TSHRALDH1A1ADRA1DPARP1PKM
SCHEMBL4173670 0.76 KDM4E (0.47) ALDH1A1PARP1ESR1POLBSTAT3
SCHEMBL9390272 0.76 PIK3CD (0.43) TAAR1TSHRALDH1A1ADRA1DPIK3CD
SCHEMBL14366318 0.74 TSHR (0.46) TAAR1TSHRALDH1A1ADRA1DPKM
SCHEMBL11017320 0.72 PKM (0.60) TSHRALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL7022414 0.72 TAAR1 (0.47) TAAR1TSHRADRA1DPIK3CDPIK3CB
SCHEMBL28238591 0.71 PARP1 (0.43) TAAR1TSHRALDH1A1ADRA1DPARP1
SCHEMBL1543745 0.71 CYP2C9 (0.39) TAAR1TSHRALDH1A1ADRA1DPARP1
SCHEMBL3170350 0.71 BACE1 (0.47) TAAR1ALDH1A1POLBKDM4EHSD17B10
Hydrochloric Acid SCHEMBL15129169 0.71 TAAR1 (0.45) TAAR1TSHRADRA1DPIK3CDPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635572-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061698-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-09-13 — — WO disclosed
WO-2012061698-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-05-10 — — WO disclosed
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