SCHEMBL7767942

SCHEMBL7767942

C=Cc1ccc(-c2ccc(OC)c3nc(NC(=O)c4ccc(C)s4)nn23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NAMPT P43490 2/20 0.38
LMNA P02545 1/20 0.38
PDE4D Q08499 14/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
IMPDH2 P12268 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7151689 0.88 SMN1; SMN2 (0.43) SMN1; SMN2NAMPTLMNAPDE4DNPC1
SCHEMBL7765412 0.85 SMN1; SMN2 (0.47) SMN1; SMN2NAMPTLMNAPDE4DNPC1
SCHEMBL7766251 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NAMPTLMNAPDE4DTP53
SCHEMBL7767039 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NAMPTLMNAPDE4DIMPDH2
SCHEMBL7146644 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPDE4DNPC1RAB9A
SCHEMBL7762520 0.82 JAK2 (0.48) SMN1; SMN2PDE4DNPC1RAB9AKDM4E
SCHEMBL7762456 0.82 SMN1; SMN2 (0.45) SMN1; SMN2PDE4D
SCHEMBL6871450 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPDE4DKDM4EALDH1A1
SCHEMBL7767933 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NAMPTLMNAPDE4DNPC1
SCHEMBL7762663 0.81 PDE4D (0.57) SMN1; SMN2PDE4DNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed