SCHEMBL8032284

SCHEMBL8032284

CN(C)CCn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.60
HTR6 P50406 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PAX8 Q06710 2/20 0.47
POLB P06746 1/20 0.47
BRPF1 P55201 5/20 0.47
LMNA P02545 1/20 0.47
SMARCA2 P51531 1/20 0.47
BRD1 O95696 3/20 0.45
BRD4 O60885 2/20 0.45
BRD9 Q9H8M2 2/20 0.45
BRPF3 Q9ULD4 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
BRD7 Q9NPI1 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL8017541 0.90 F2 (0.72) F2SMN1; SMN2PAX8POLBBRPF1
SCHEMBL8026550 0.89 F2 (0.73) F2SMN1; SMN2PAX8POLBBRPF1
SCHEMBL8028568 0.87 F2 (0.61) F2SMN1; SMN2PAX8POLBBRPF1
SCHEMBL8027058 0.86 F2 (0.70) F2SMN1; SMN2PAX8POLBBRPF1
SCHEMBL8033079 0.85 F2 (0.49) F2HTR6CNR2
SCHEMBL8026439 0.85 F2 (0.62) F2SMN1; SMN2PAX8POLBBRPF1
SCHEMBL8032153 0.84 F2 (0.55) F2SMN1; SMN2PAX8POLBBRPF1
Hydrochloric Acid SCHEMBL8026277 0.84 F2 (0.81) F2HTR6SMN1; SMN2PAX8POLB
SCHEMBL8028279 0.84 F2 (0.59) F2SMN1; SMN2PAX8POLBBRPF1
SCHEMBL8033052 0.83 F2 (0.62) F2SMN1; SMN2PAX8POLBBRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed