SCHEMBL7955662

SCHEMBL7955662

CCCCc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NR4A1 P22736 1/20 0.42
TRPV1 Q8NER1 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
GAA P10253 1/20 0.39
ROCK2 O75116 8/20 0.38
ROCK1 Q13464 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TP53 P04637 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ABL1 P00519 1/20 0.37
LYN P07948 1/20 0.37

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
SCHEMBL7958537 0.92 MAPT (0.45) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
Hydrochloric Acid SCHEMBL8140883 0.91 MAPT (0.44) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951743 0.84 MAPT (0.52) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951760 0.83 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7955615 0.81 HTR1D (0.40) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7953978 0.81 KMT2A (0.53) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7953309 0.81 MAPT (0.42) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7945228 0.80 ABL1 (0.48) ABL1BCRPDGFRB
SCHEMBL7951767 0.80 MAPT (0.47) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7953316 0.80 PDGFRB (0.47) MAPTSMN1; SMN2TRPV1ROCK2ROCK1

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-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed