SCHEMBL11259121

SCHEMBL11259121

CNC(=O)N(C)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 5/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
THRB P10828 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 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
SCHEMBL11190155 0.85 SMN1; SMN2 (0.49) ALDH1A1TSHRSMN1; SMN2POLBHTT
SCHEMBL9453242 0.84 POLB (0.54) ALDH1A1TSHRSMN1; SMN2POLBHTT
SCHEMBL10770854 0.80 RAB9A (0.55) ALDH1A1SMN1; SMN2POLBHTTMEN1
SCHEMBL22103682 0.79 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL11260224 0.76 CYP1A2 (0.49) ALDH1A1SMN1; SMN2HTTMAPK1MEN1
SCHEMBL30136232 0.75 POLB (0.58) ALDH1A1TSHRSMN1; SMN2POLBHTT
SCHEMBL1395802 0.75 POLB (0.58) ALDH1A1TSHRSMN1; SMN2POLBHTT
SCHEMBL14817539 0.75 POLB (0.66) ALDH1A1SMN1; SMN2POLBMAPK1MEN1
SCHEMBL11278636 0.75 ABCC1 (0.60) POLBMEN1KMT2AKDM4E
SCHEMBL9474101 0.74 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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
US-4350700-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1982-09-21 US disclosed
US-4287207-A USED AS AN ANALGESIC, ANTIPYRETIC OR ANTIINFLAMMATORY AGENT TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-09-01 US disclosed