SCHEMBL7981348

SCHEMBL7981348

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 9/20 0.56
BRD1 O95696 7/20 0.56
BRPF3 Q9ULD4 5/20 0.56
BRD4 O60885 3/20 0.56
BRD9 Q9H8M2 3/20 0.56
BRD7 Q9NPI1 1/20 0.56
F2 P00734 4/20 0.55
SMARCA2 P51531 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PAX8 Q06710 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
TRIM24 O15164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL8027058 0.88 F2 (0.70) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL6637025 0.83 PAX8 (0.64) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL7985209 0.83 F2 (0.60) BRPF1BRD1BRPF3BRD4BRD9
Hydrochloric Acid SCHEMBL7981005 0.83 F2 (0.77) F2
SCHEMBL8026550 0.81 F2 (0.73) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8017541 0.81 F2 (0.72) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL7981352 0.80 GLO1 (0.47) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL7427026 0.80 F2 (0.43) BRD4F2ALDH1A1
SCHEMBL8029978 0.80 F2 (0.60) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8029898 0.80 BRPF1 (0.61) BRPF1BRD1BRPF3BRD4BRD9

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed