SCHEMBL9587602

SCHEMBL9587602

CNC(=O)NC(CSC(C)=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.48
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCC3 O15438 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
NR3C1 P04150 1/20 0.45
RARG P13631 1/20 0.45
CNR1 P21554 1/20 0.45
OPRK1 P41145 1/20 0.45
NR1H2 P55055 1/20 0.45
PPARA Q07869 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR1I3 Q14994 1/20 0.45

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
SCHEMBL7298881 0.85 MME (0.58) MMECYP3A4MAPK1NPC1RAB9A
SCHEMBL9588793 0.85 CYP3A4 (0.46) MMECYP3A4MAPK1NPC1RAB9A
SCHEMBL7450894 0.84 MME (0.52) MMECYP3A4MAPK1NPC1RAB9A
SCHEMBL8837469 0.84 FCER2 (0.50) MMECYP3A4MAPK1NPC1RAB9A
SCHEMBL9587977 0.84 KMT2A (0.59) MMENPC1RAB9AOPRK1
SCHEMBL7435110 0.84 MME (0.46) MMECYP3A4MAPK1NPC1RAB9A
SCHEMBL9068533 0.83 MME (0.62) MMECYP3A4MAPK1PAMACE
SCHEMBL7304584 0.83 MME (0.46) MMECYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL9588619 0.82 CYP3A4 (0.54) MMECYP3A4MAPK1NPC1RAB9A
SCHEMBL9587952 0.82 MME (0.47) MMECYP3A4MAPK1NPC1RAB9A

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-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 US disclosed