SCHEMBL19554142

SCHEMBL19554142

COc1cc(NC(=O)c2ccc3cc(C(F)(F)F)ccc3c2)c(-n2nn[nH]c2=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOA P21397 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL19554377 0.89 SMN1; SMN2 (0.51) MAPTCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL19554374 0.89 KDM4E (0.49) MAPTCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL19554232 0.88 MAPT (0.45) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19554220 0.84 KDM4E (0.42) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19554361 0.80 HDAC1 (0.41) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL19554101 0.80 CYP1A2 (0.45) MAPTCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL19555285 0.79 NPC1 (0.45) MAPTCYP1A2CYP2C19LMNAMEN1
SCHEMBL19554930 0.78 GPR35 (0.42) MAPTCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL19554329 0.77 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL19554380 0.77 MAOB (0.39) MAPTCYP1A2CYP3A4CYP2C19TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed