SCHEMBL31502575

SCHEMBL31502575

CC1=Cc2ccc(C)cc2[C@H]1N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31453979 1.00 CYP1A2 (0.36) CYP1A2CYP2A6TDP1ALOX15TP53
SCHEMBL31496408 1.00 CYP1A2 (0.36) CYP1A2CYP2A6TDP1ALOX15TP53
Hydrochloric Acid SCHEMBL31453980 0.98 CYP1A2 (0.34) CYP1A2CYP2A6TDP1ALOX15TP53
SCHEMBL1452360 0.78 CHRNB2 (0.32) CYP1A2CYP2A6CHRNB2CHRNA4
SCHEMBL31633619 0.75 TRPA1 (0.33) CYP1A2CYP2A6TDP1ALOX15TP53
SCHEMBL1452902 0.73 CHRNB2 (0.32) CYP1A2CYP2A6CHRNB2CHRNA4
SCHEMBL2939407 0.72 ACHE (0.33) CYP1A2CYP2A6CYP3A4CHRNB2CHRNA4
SCHEMBL1453816 0.72 CHRNB2 (0.31) CYP1A2CYP2A6CHRNB2CHRNA4
SCHEMBL1453955 0.72 NQO2 (0.31) CYP1A2CYP2A6CHRNB2CHRNA4
SCHEMBL4652063 0.72 CHRNB2 (0.31) CYP1A2CYP2A6CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462395-A Synthesis method of chiral indene amine 中国科学院大连化学物理研究所 2025-02-18 CN claimed
CN-119462395-A Synthesis method of chiral indene amine 中国科学院大连化学物理研究所 2025-02-18 CN disclosed