SCHEMBL21177772

SCHEMBL21177772

NC(=O)c1cnc(CF)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL21177286 0.82 NOTUM (0.42) FAAHCES1CYP2C19SMN1; SMN2GABRP
SCHEMBL23320163 0.81 PARP1 (0.40) FAAHCES1KDM4ENPC1ALDH1A1
SCHEMBL31453785 0.80 PIK3CA (0.40) FAAHCES1ALDH1A1GAARAB9A
SCHEMBL11777360 0.77 FAAH (0.37) FAAHCES1KDM4EPARP1
SCHEMBL23337234 0.77 FAAH (0.52) FAAHCES1KDM4ENPC1HPGD
SCHEMBL1704958 0.75
SCHEMBL15123017 0.69
Hydrochloric Acid SCHEMBL29156127 0.69 FAAH (0.49) FAAHCES1KDM4EALDH1A1LMNA
SCHEMBL758594 0.69
SCHEMBL21177321 0.69 FAAH (0.48) FAAHCES1ADORA3TSHRMC4R

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
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO claimed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed