SCHEMBL28512390

SCHEMBL28512390

Cc1ccccc1-c1cnn(O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ METAP2 P50579 1/20 0.46
▸ CYP1A2 P05177 7/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ CYP2D6 P10635 5/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL24360125 0.81 IDO1 (0.46) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL28512389 0.71 METAP2 (0.41) METAP2CYP1A2RAB9ASMN1; SMN2CYP2C19
SCHEMBL14557159 0.71 PTGS2 (0.44) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL3424160 0.70 IDO1 (0.55) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL16574032 0.68 KMT2A (0.55) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL29767299 0.68 KMT2A (0.55) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL23403457 0.67 CYP1A2 (0.44) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL3630556 0.66 IDO1 (0.50) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL14635903 0.65 IDO1 (0.46) IDO1METAP2CYP1A2RAB9ASMN1; SMN2
SCHEMBL23685715 0.65 PTGS2 (0.50) IDO1METAP2CYP1A2RAB9ASMN1; SMN2

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-112322019-A High-hardness transparent flame-retardant PC material and preparation method thereof 上海艰卓科技有限公司 2021-02-05 — — CN disclosed
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