SCHEMBL29941678

SCHEMBL29941678

O=c1ccc2ccccc2n1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ BRPF1 P55201 1/20 0.53
▸ KAT2B Q92831 1/20 0.53
▸ BRD9 Q9H8M2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ CDK4 P11802 4/20 0.38
▸ CCND1 P24385 4/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35

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
SCHEMBL1052785 1.00 CA12 (0.53) CA12CA9BRD4BRPF1KAT2B
SCHEMBL847600 0.82 CA12 (0.57) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1054493 0.74 CA12 (0.57) CA12CA9BRD4BRPF1KAT2B
SCHEMBL9372428 0.73 CA12 (0.47) CA12CA9BRD4BRPF1KAT2B
SCHEMBL16896766 0.73 CA12 (0.47) CA12CA9BRD4BRPF1KAT2B
SCHEMBL9096468 0.72 CA12 (0.46) CA12CA9BRD4BRPF1KAT2B
SCHEMBL7209185 0.71 NR3C1 (0.44) CA12CA9
SCHEMBL1052080 0.71 CA12 (0.59) CA12CA9BRD4BRPF1KAT2B
SCHEMBL23272041 0.71 HSD17B10 (0.33) CA12CA9BRD4BRPF1KAT2B
SCHEMBL29947955 0.71 HSD17B10 (0.33) CA12CA9BRD4BRPF1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4093735-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS Syngenta Crop Protection AG (CH) 2022-11-30 — — EP disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 — — US disclosed
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