SCHEMBL8998993

SCHEMBL8998993

O=C(NCc1ccccc1)C(Cc1c[nH]c2ccccc12)SC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.60
BRS3 P32247 1/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
CTSL P07711 1/20 0.54
POLB P06746 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53

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
SCHEMBL1388421 0.93 KCNT1 (0.60) KCNT1BRS3MAPTGAAHTT
SCHEMBL8998923 0.89 KMT2A (0.64) BRS3MAPTKDM4EMEN1TSHR
SCHEMBL8999101 0.88 KMT2A (0.56) KCNT1BRS3MAPTKDM4EMEN1
SCHEMBL8999337 0.87 GPR84 (0.54) KCNT1MAPTGAAHTTKMT2A
Hydrochloric Acid SCHEMBL9834221 0.85 MAPT (0.67) KCNT1BRS3MAPTGAAHTT
SCHEMBL8998979 0.85 KCNT1 (0.55) KCNT1BRS3MAPTGAAHTT
SCHEMBL8999334 0.85 SMN1; SMN2 (0.68) KCNT1BRS3MAPTGAAHTT
SCHEMBL8999058 0.84 KMT2A (0.57) KCNT1BRS3MAPTKDM4EMEN1
SCHEMBL7838780 0.84 POLB (0.73) KCNT1BRS3MAPTGAAHTT
SCHEMBL30736497 0.84 MAPT (0.69) KCNT1BRS3MAPTGAAHTT

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-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed