SCHEMBL28053752

SCHEMBL28053752

Nc1ccccc1C(=O)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 8/20 0.48
CFTR P13569 1/20 0.48
KDM4E B2RXH2 4/20 0.43
PTGS1 P23219 2/20 0.41
MMP2 P08253 1/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
P2RX1 P51575 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
FADS1 O60427 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 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
SCHEMBL637576 0.78 ALDH1A1 (0.53) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL2941784 0.77 ALDH1A1 (0.52) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL9312422 0.76 CES2 (0.60) MAPTGAAALDH1A1ALOX15NPC1
SCHEMBL30682655 0.76 CES2 (0.60) MAPTGAAALDH1A1ALOX15NPC1
SCHEMBL9471207 0.75 ALDH1A1 (0.41) MAPTGAAALDH1A1KDM4EPTGS1
SCHEMBL10885871 0.75 MAPT (0.56) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL31521462 0.74 CES2 (0.58) ALDH1A1TSHRHPGDPOLBMEN1
SCHEMBL32665936 0.74 HPGD (0.46) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL21761714 0.74 MAPT (0.41) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL112507 0.74 MAPT (0.74) MAPTGAAALDH1A1HSD17B10CFTR

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
CN-105358151-B For treating the compound of Duchenne-Arandisease 豪夫迈·罗氏有限公司 2019-04-12 CN disclosed
CN-105358151-A Compounds for treating spinal muscular atrophy HOFFMANN LA ROCHE 2016-02-24 CN disclosed