SCHEMBL15061273

SCHEMBL15061273

O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 1.00
▸ MAOB P27338 4/20 0.54
▸ ACHE P22303 1/20 0.51
▸ AR P10275 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3821126 0.93 CYP19A1 (1.00) CYP19A1MAOBACHENPC1MAOA
SCHEMBL3829440 0.88 CYP19A1 (1.00) CYP19A1
SCHEMBL3816936 0.87 CYP19A1 (0.89) CYP19A1MAOBACHENPC1MAOA
SCHEMBL3820682 0.84 CYP19A1 (1.00) CYP19A1MAOBMAOATDP1
SCHEMBL3833769 0.83 CYP19A1 (0.77) CYP19A1NPC1RAB9A
SCHEMBL3810768 0.82 CYP19A1 (0.86) CYP19A1NPC1MAOARAB9A
SCHEMBL3813366 0.81 CYP19A1 (1.00) CYP19A1
SCHEMBL10623137 0.80 ALDH1A1 (0.71) CYP19A1MAOBACHENPC1MAOA
SCHEMBL3817297 0.79 CYP19A1 (1.00) CYP19A1NPC1RAB9A
SCHEMBL3811424 0.79 CYP19A1 (1.00) CYP19A1MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117223608-A Hu Doulian tissue culture rapid propagation method 浙江乌岩岭国家级自然保护区管理中心 2023-12-15 — — CN disclosed
CN-112370404-B Moisturizing and whitening composition, and preparation method and application thereof 桂林理工大学 2022-09-16 — — CN disclosed
US-8476313-B2 Heteroaryl-containing isoflavones as aromatase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-07-02 — — US disclosed
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