SCHEMBL31409220

SCHEMBL31409220

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.64
MAOB P27338 3/20 0.47
PTGS1 P23219 2/20 0.46
TAAR1 Q96RJ0 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 2/20 0.40
PDE2A O00408 1/20 0.40
MAPK1 P28482 1/20 0.40
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 2/20 0.38
CNR1 P21554 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
PLAU P00749 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL2493440 0.88 CES2 (0.48) KIF11TAAR1CES2CES1TSHR
SCHEMBL10302 0.85 KIF11 (0.84) KIF11MAOBPTGS1TAAR1CES2
SCHEMBL30438832 0.85 KIF11 (0.84) KIF11MAOBPTGS1TAAR1CES2
SCHEMBL27948267 0.85 KIF11 (0.84) KIF11MAOBPTGS1TAAR1CES2
Iodide SCHEMBL29168424 0.83 KIF11 (0.80) KIF11MAOBPTGS1TAAR1CES2
Bromide SCHEMBL29203653 0.83 KIF11 (0.80) KIF11MAOBPTGS1TAAR1CES2
Fluoride SCHEMBL10884506 0.83 KIF11 (0.80) KIF11MAOBPTGS1TAAR1CES2
SCHEMBL11737429 0.83 KIF11 (0.80) KIF11MAOBPTGS1TAAR1CES2
Hydrochloric Acid SCHEMBL2130181 0.83 KIF11 (0.80) KIF11MAOBPTGS1TAAR1CES2
Hydrochloric Acid SCHEMBL4376065 0.83 KIF11 (0.80) KIF11MAOBPTGS1TAAR1CES2

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