SCHEMBL30023117

SCHEMBL30023117

c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.46
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PDGFRB P09619 4/20 0.41
▸ PDGFRA P16234 4/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PIM1 P11309 3/20 0.39
▸ EGFR P00533 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38

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
SCHEMBL17755608 0.87 CYP19A1 (0.62) CYP19A1LMNAPIK3CDPIK3CAPIK3CB
SCHEMBL29482241 0.87 CYP19A1 (0.62) CYP19A1LMNAPIK3CDPIK3CAPIK3CB
SCHEMBL28900334 0.86 LMNA (0.44) CYP19A1MAPTLMNAPDGFRBPDGFRA
SCHEMBL29661988 0.84 NPC1 (0.55) CYP19A1PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL17746913 0.84 CYP19A1 (0.42) CYP19A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL18334166 0.80 CYP19A1 (0.54) CYP19A1MAPTLMNAPIM1NPC1
SCHEMBL29683245 0.79 CYP19A1 (0.52) CYP19A1MAPTLMNAPIK3CDPIK3CA
SCHEMBL17246864 0.79 CYP19A1 (0.52) CYP19A1MAPTLMNAPIK3CDPIK3CA
SCHEMBL32677335 0.78 CYP2A6 (0.55) CYP19A1MAPTLMNAPIM1NPC1
SCHEMBL20169521 0.78 PIK3CD (0.46) CYP19A1MAPTPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931526-A CeO-based2Enhanced fluorescent probe and application thereof in detection of sulfide ions or sulfate reducing bacteria 华中科技大学 2024-11-12 — — CN claimed
CN-118931526-A CeO-based2Enhanced fluorescent probe and application thereof in detection of sulfide ions or sulfate reducing bacteria 华中科技大学 2024-11-12 — — CN disclosed
CN-116120581-B Fused heterocyclic MOF material, preparation method thereof and application thereof in preparation of red light LED device 重庆师范大学 2024-06-04 — — CN disclosed
CN-117024755-A Complementary superimposed zinc-based light conversion material, preparation method thereof and application thereof in preparation of orange pink LED 重庆师范大学 2023-11-10 — — CN disclosed
CN-116948196-A Binuclear three-node MOF material, preparation method thereof and application thereof in preparing warm white light LED 重庆师范大学 2023-10-27 — — CN disclosed
CN-115386096-B Red fluorescent zinc-based MOF material, preparation method thereof and application thereof in preparing plant growth LED device 重庆师范大学 2023-06-02 — — CN disclosed
CN-116120581-A Fused heterocyclic MOF material, preparation method thereof and application thereof in preparation of red light LED device 重庆师范大学 2023-05-16 — — CN disclosed
CN-115386096-A Red fluorescent zinc-based MOF material, preparation method thereof and application thereof in preparation of plant growth LED device 重庆师范大学 2022-11-25 — — CN disclosed
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