SCHEMBL7947538

SCHEMBL7947538

NC(=O)c1ccc(N(S)C(=O)NCC(S)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.38
PARP10 Q53GL7 4/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HAT1 O14929 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL7945388 0.87 BCAT2 (0.38) BCAT2PARP10PLA2G10PLA2G2ASMN1; SMN2
SCHEMBL7784277 0.86 HAT1 (0.46) BCAT2SMN1; SMN2KMT2ARECQLMAPT
SCHEMBL7657499 0.82 EPHX2 (0.50) KMT2ACYP2C19
SCHEMBL7569282 0.79 HAT1 (0.40) PARP10PLA2G10PLA2G2ASMN1; SMN2KMT2A
SCHEMBL6816846 0.79 OPRM1 (0.50) PARP10PLA2G10PLA2G2AKMT2ATSHR
SCHEMBL7644569 0.77 ROCK2 (0.44) PARP10PLA2G10PLA2G2ASMN1; SMN2KMT2A
SCHEMBL6815624 0.76 OPRM1 (0.51) PLA2G10PLA2G2AKMT2AOPRD1OPRK1
SCHEMBL6811096 0.76 ALDH1A1 (0.46) SMN1; SMN2KMT2APOLBPARP1HSD17B10
SCHEMBL7567787 0.76 PPARG (0.45) SMN1; SMN2KMT2ARECQLTSHRHSD17B10
SCHEMBL7592313 0.75 HDAC1 (0.39) PARP10PLA2G10PLA2G2ARECQLPOLB

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed