SCHEMBL19554377

SCHEMBL19554377

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ NPC1 O15118 3/20 0.40

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
SCHEMBL19554101 0.91 CYP1A2 (0.45) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554374 0.91 KDM4E (0.49) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554273 0.91 NPC1 (0.46) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554232 0.90 MAPT (0.45) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554930 0.89 GPR35 (0.42) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554142 0.89 MAPT (0.49) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554380 0.88 MAOB (0.39) MAPTMAOBMAOACYP1A2CYP3A4
SCHEMBL19554220 0.86 KDM4E (0.42) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19554310 0.86 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19554313 0.84 KCNMA1 (0.42) SMN1; SMN2MAPTLMNACYP1A2CYP3A4

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
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