SCHEMBL31606784

SCHEMBL31606784

Brc1nc(-c2ccccn2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.62
▸ KDM4E B2RXH2 6/20 0.56
▸ LMNA P02545 6/20 0.56
▸ CCR1 P32246 2/20 0.56
▸ CCR5 P51681 2/20 0.56
▸ CCR8 P51685 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ METAP1 P53582 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ DOHH Q9BU89 1/20 0.56
▸ P4HTM Q9NXG6 1/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ MAPT P10636 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NFKB2 Q00653 2/20 0.56
▸ RELA Q04206 2/20 0.56

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
SCHEMBL14156978 1.00 CYP19A1 (0.62) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL1741719 0.80 CYP19A1 (0.79) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL29516285 0.80 CYP19A1 (0.62) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL128834 0.80 CYP19A1 (0.62) CYP19A1KDM4ELMNACCR1CCR5
Bromide SCHEMBL31361535 0.78 CYP19A1 (0.61) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL5132347 0.78 CYP19A1 (0.61) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL10272523 0.78 CYP19A1 (0.61) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL17539215 0.78 CYP19A1 (0.61) CYP19A1KDM4ELMNACCR1CCR5
SCHEMBL203773 0.78 CYP19A1 (0.60) CYP19A1KDM4ELMNACCR1CCR5
Dipyridyl SCHEMBL143849 0.78 KDM4E (0.93) CYP19A1KDM4ELMNACCR1CCR5

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-120081363-A Preparation method and application of nitrogen-sulfur-boron co-doped graphene composite material for lithium ion battery negative electrode 唐山北碳科技有限公司 2025-06-03 — — CN disclosed
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