SCHEMBL8028343

SCHEMBL8028343

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3cccc4cnccc34)ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.75
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRKCA P17252 1/20 0.42
NFKB1 P19838 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 2/20 0.41
PMP22 Q01453 1/20 0.41
PKLR P30613 1/20 0.41

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
SCHEMBL8027001 0.91 F2 (0.74) F2NR1I2LMNASMN1; SMN2BRPF1
SCHEMBL8026354 0.85 F2 (0.74) F2CYP3A4CYP2D6PKLRBRD4
Hydrochloric Acid SCHEMBL8030086 0.85 F2 (0.98) F2NR1I2LMNAPMP22PKLR
SCHEMBL8028365 0.84 F2 (0.73) F2LMNASMN1; SMN2BRPF1BRD1
SCHEMBL8016793 0.84 F2 (0.59) F2CYP3A4CYP2D6NR1I2LMNA
SCHEMBL8027058 0.81 F2 (0.70) F2LMNASMN1; SMN2BRPF1BRD1
SCHEMBL8032270 0.79 F2 (0.72) F2NR1I2LMNASMN1; SMN2BRPF1
SCHEMBL8027395 0.79 F2 (0.52) F2LMNASMN1; SMN2BRPF1BRD1
SCHEMBL8026892 0.79 F2 (0.53) F2LMNASMN1; SMN2BRPF1BRD1
SCHEMBL8029858 0.77 F2 (0.51) F2NR1I2LMNASMN1; SMN2BRPF1

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