SCHEMBL14554346

SCHEMBL14554346

Cc1nc2cc(NC(=O)OC(C)(C)C)ccc2s1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.62
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
LDHA P00338 2/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 2/20 0.50
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.47
P2RX3 P56373 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1848638 0.90 TRPV1 (0.52) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL14079744 0.90 LDHA (0.67) RAB9ANPC1LDHAPOLBSMN1; SMN2
SCHEMBL5798843 0.82 RAB9A (0.65) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5226064 0.81 TRPV1 (0.55) TRPV1
SCHEMBL4011536 0.80 LDHA (0.78) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5226068 0.80 TRPV1 (0.52) TRPV1
SCHEMBL10165143 0.79 DYRK1A (0.54) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28271344 0.78 CA12 (0.47) RAB9ANPC1KMT2AMAPTKDM4E
SCHEMBL5782291 0.78 TRPV1 (0.75) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5383433 0.77 MEN1 (0.61) RAB9ANPC1KMT2AMAPTKDM4E

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
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed