SCHEMBL30986852

SCHEMBL30986852

CN1c2ccccc2SC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ GSK3B P49841 4/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL12193903 1.00 MAOA (0.41) MAOAGSK3BNPC1ALDH1A1RAB9A
SCHEMBL3731249 0.82 ALOX5 (0.35) MAOAGSK3BNPC1ALDH1A1RAB9A
SCHEMBL3738688 0.81 MAPT (0.47) GSK3BNPC1ALDH1A1RAB9ASMN1; SMN2
Bromide SCHEMBL27619257 0.80 MAPT (0.46) GSK3BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12264201 0.79 MAOA (0.46) MAOAGSK3BALDH1A1RAB9ASMN1; SMN2
SCHEMBL3743379 0.78 DRD2 (0.39) GSK3BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL26049380 0.78 GAA (0.47) MAOAGSK3BALDH1A1
SCHEMBL21970993 0.77 PDGFRB (0.43) ALDH1A1
SCHEMBL27631671 0.77 GSK3B (0.38) MAOAGSK3BNPC1ALDH1A1RAB9A
SCHEMBL11886360 0.77 MAOA (0.37) MAOAGSK3BNPC1ALDH1A1RAB9A

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-118126713-A Photocatalytic reaction method based on up-conversion system 中国科学院大连化学物理研究所 2024-06-04 — — CN claimed
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