SCHEMBL28746964

SCHEMBL28746964

Cc1cc(-c2ccc(N)cc2)on1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ACHE P22303 1/20 0.52
▸ MAPT P10636 7/20 0.51
▸ TP53 P04637 7/20 0.51
▸ EDNRA P25101 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL2270503 0.83 NPC1 (0.59) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL24307626 0.82 NPC1 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
Ammonia Solution, Strong SCHEMBL28862474 0.82 NPC1 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL1672 0.80 PTPN1 (0.56) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL7904001 0.80 MAPT (0.64) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL2272084 0.80 CYP1A2 (0.54) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL16373702 0.80 ALDH1A1 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL13514282 0.80 CYP1A2 (0.54) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL22919092 0.79 CYP1A2 (0.54) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL3342160 0.79 KDM4E (0.49) CYP1A2CYP19A1CYP2C9CYP2C19MAPT

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-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 — — CN disclosed
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