SCHEMBL25898037

SCHEMBL25898037

Cn1ccc2cc(Br)cc(F)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 2/20 0.38
▸ BRPF1 P55201 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ CECR2 Q9BXF3 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.34
▸ MAP2K1 Q02750 6/20 0.33
▸ CCNE2 O96020 2/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ MIF P14174 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL26800825 0.81 BRD9 (0.39) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL31298852 0.80 GRM2 (0.40) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL29026946 0.80 BRD4 (0.35) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL25899446 0.77 BRD4 (0.38) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL20752427 0.75 BTK (0.47) —
SCHEMBL23706219 0.75 GAA (0.37) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL30096996 0.75 GAA (0.37) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL13061910 0.74 BRD9 (0.41) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL31364684 0.74 BRD9 (0.41) TAF1BRPF1BRD4CREBBPCECR2
SCHEMBL25898525 0.73 HTR2C (0.40) MAP2K1

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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