SCHEMBL31409199

SCHEMBL31409199

Nc1ccc(C(c2ccc(N)cc2)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
PNMT P11086 1/20 0.51
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
MAOB P27338 2/20 0.46
PTGS1 P23219 1/20 0.44
CES2 O00748 1/20 0.44
ACP3 P15309 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KIF11 P52732 1/20 0.42
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40

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
SCHEMBL4086256 0.87 PNMT (0.58) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL13357679 0.85 IDO1 (0.59) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL31409220 0.81 KIF11 (0.64) TSHRMAPK1IDO1MAOBPTGS1
SCHEMBL22050359 0.80 MEN1 (0.40) TSHRTAAR1CNR1CNR2
SCHEMBL31409213 0.76 TAAR1 (0.52) IDO1TDO2MAOBCES2TAAR1
SCHEMBL31067471 0.75 TSHR (0.66) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL17073488 0.75 TSHR (0.66) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL24017114 0.75 PNMT (0.59) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL7207335 0.75 PNMT (0.59) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL15137235 0.75 PNMT (0.59) TSHRMAPK1PNMTIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219504-B Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2025-03-14 CN claimed
CN-119219504-A Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2024-12-31 CN claimed
CN-119219504-B Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2025-03-14 CN disclosed
CN-119219504-A Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2024-12-31 CN disclosed