SCHEMBL19554308

SCHEMBL19554308

COC(=O)c1cc(OC(F)F)ccc1NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
ALOX12 P18054 1/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TSHR P16473 3/20 0.50
MAPT P10636 3/20 0.50
NR1H4 Q96RI1 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
DHODH Q02127 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
F10 P00742 1/20 0.47

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
SCHEMBL19554280 0.88 IGF2BP2 (0.58) KDM4ENPC1RAB9ACASP3SENP7
SCHEMBL19554242 0.84 KDM4E (0.61) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL21446855 0.82 KDM4E (0.77) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL22213559 0.82 KDM4E (0.57) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL22213622 0.82 KDM4E (0.57) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL4829005 0.78 KDM4E (0.63) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL19554201 0.77 SERPINE1 (0.59) MEN1KMT2ASMN1; SMN2IGF2BP2GAA
SCHEMBL7041709 0.76 PLAU (0.52) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL19554295 0.75 PTPN11 (0.53) KDM4ENPC1RAB9ATSHRMAPT
SCHEMBL7033003 0.75 PLAU (0.59) KDM4EALDH1A1ALOX12NPC1RAB9A

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