SCHEMBL27969722

SCHEMBL27969722

Cn1c(Cl)cc2cc(C#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ BRPF1 P55201 9/20 0.39
▸ BRD1 O95696 7/20 0.39
▸ BRPF3 Q9ULD4 5/20 0.39
▸ BRD4 O60885 3/20 0.39
▸ BRD9 Q9H8M2 3/20 0.39
▸ BRD7 Q9NPI1 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10053515 0.80 BRPF1 (0.45) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL28265765 0.79 ENPP3 (0.42) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL10022422 0.76 BRPF1 (0.43) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL10066950 0.76 CYP2A6 (0.44) ENPP3CDC7RORCBRPF1BRD1
SCHEMBL1338266 0.76 CDC7 (0.40) ENPP3CDC7RORCBRPF1BRD1
SCHEMBL6263704 0.76 BRPF1 (0.42) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL7443481 0.75 RORC (0.45) ENPP3CDC7RORCBRPF1BRD1
Hydrochloric Acid SCHEMBL1339371 0.75 CDC7 (0.39) ENPP3CDC7RORCBRPF1BRD1
SCHEMBL12958606 0.75 ALB (0.47) ENPP3CDC7RORCBRPF1BRD1
SCHEMBL12958654 0.75 ENPP3 (0.39) ENPP3CDC7RORCBRPF1BRD1

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-104039323-A Antibacterial compounds and methods of use PTC THERAPEUTICS INC 2014-09-10 — — CN disclosed
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