SCHEMBL7843983

SCHEMBL7843983

Cc1nc2cnccc2n1C1CCN(CC(=O)c2cn(OC(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
UBE2N P61088 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.40
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7846402 0.89 SMN1; SMN2 (0.47) MAPK1ALDH1A1
SCHEMBL7847024 0.89
SCHEMBL7835077 0.84 HTT (0.43) MAPK1
SCHEMBL7845147 0.81 CCR5 (0.45) MEN1KMT2AGLAMAPK1UBE2N
SCHEMBL7835818 0.80 MEN1 (0.44) MEN1KMT2AGLAMAPK1UBE2N
SCHEMBL7846036 0.79
SCHEMBL7836316 0.78 MAPK1 (0.50) MAPK1
SCHEMBL7498291 0.78
Hydrochloric Acid SCHEMBL7845399 0.77 MAPK1 (0.49) MAPK1
SCHEMBL7847305 0.76 HTT (0.46) MAPK1CYP2D6CCR5

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
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP claimed