SCHEMBL24968790

SCHEMBL24968790

CC(C)CN(Cc1ccncc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.39
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL26239736 0.85 CYP19A1 (0.41) CYP19A1FNTAFNTBLOXL2CYP2C9
SCHEMBL10240740 0.82 HSD17B10 (0.41) LOXL2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10746744 0.80 AOC3 (0.47) CYP2C9CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL19750347 0.79 CHRNB2 (0.56) FNTAFNTBCYP1A2CYP2D6ALDH1A1
SCHEMBL23374745 0.78 KDM4E (0.43) CYP19A1FNTAFNTBLOXL2CYP2C9
SCHEMBL10147173 0.76 ALDH1A1 (0.44) CYP19A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL26724521 0.75 HTT (0.43) CYP19A1FNTAFNTBCYP2C9CYP2C19
SCHEMBL27000039 0.75 MAOB (0.45) CYP19A1FNTAFNTBCYP2C9CYP2C19
SCHEMBL12088917 0.74 ADRA2B (0.42) CYP19A1FNTAFNTBLOXL2CYP2C9
SCHEMBL27587590 0.72 LOXL2 (0.43) CYP19A1FNTAFNTBLOXL2CYP2C9

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
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 — — WO disclosed
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