SCHEMBL9739288

SCHEMBL9739288

Cc1c(C)n(Cc2ccco2)c2c(Cl)nncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.40
▸ ALDH1A1 P00352 10/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PKM P14618 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
SCHEMBL9754273 0.80 FABP4 (0.49) TSHRALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL9738474 0.75 CYP1A2 (0.61) TSHRALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL4591608 0.74 CYP1A2 (0.40) TSHRALDH1A1MAPTPOLBGAA
SCHEMBL9738228 0.74 TSHR (0.46) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7485546 0.73 CYP1A2 (0.35) RAB9A
SCHEMBL7482094 0.70 CYP1A2 (0.34) ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL7479361 0.70 CYP1A2 (0.32) —
SCHEMBL7480083 0.70 CYP1A2 (0.36) —
SCHEMBL7479776 0.69 CYP1A2 (0.31) —
SCHEMBL7482896 0.69 CYP1A2 (0.40) —

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-1992006979-A1 NEW DIAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-04-30 — — WO disclosed
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