SCHEMBL29144774

SCHEMBL29144774

COn1c(Cc2ccccc2)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL27753559 0.78 PPARG (0.40) SMN1; SMN2
SCHEMBL4412605 0.75 BCHE (0.39) —
SCHEMBL28455040 0.73 NOD2 (0.47) SMN1; SMN2ALDH1A1HTT
SCHEMBL28459423 0.71 NR1H2 (0.57) —
SCHEMBL19468279 0.71 CCR2 (0.38) IDH1CCR2
SCHEMBL670199 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTT
SCHEMBL11747741 0.70 KMT2A (0.59) SMN1; SMN2ALDH1A1HPGDMAOAMAOB
SCHEMBL3969742 0.70 SMN1; SMN2 (0.42) SMN1; SMN2MAOA
SCHEMBL28460969 0.70 KDM1A (0.47) IDH1SMN1; SMN2ALDH1A1CCR2MAOA
SCHEMBL6472453 0.69 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDHTTMAOA

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
CN-111548269-B Preparation method of diaryl methane structural compound 兰州大学 2023-10-27 — — CN disclosed
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