SCHEMBL24399781

SCHEMBL24399781

C[C@](CS)(c1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KCNN4 O15554 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP2D6 P10635 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL21534536 0.81 TAAR1 (0.40) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL10426651 0.76 TAAR1 (0.45) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL24247980 0.73 CYP2C19 (0.38) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL24247959 0.73 ESR1 (0.42) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL2038162 0.73 KCNN4 (0.42) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL8061599 0.71 KCNN4 (0.41) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL21208371 0.71 CYP2D6 (0.35) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL8730213 0.70 TAAR1 (0.58) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL7729903 0.70 TAAR1 (0.46) TAAR1KCNN4MAPK1CYP2C19CYP3A4
SCHEMBL21730072 0.69 CYP2D6 (0.37) TAAR1MAPK1CYP2C19CYP3A4KMT2A

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-20220140022-A1 ORGANIC LIGHT EMITTING DEVICE, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ILLUMINATION APPARATUS, AND MOVING OBJECT CANON KK (JP) 2022-05-05 US disclosed