SCHEMBL19554242

SCHEMBL19554242

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ DEGS1 O15121 2/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MAPT P10636 3/20 0.55
▸ CASP3 P42574 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ DHODH Q02127 1/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ NR1H4 Q96RI1 1/20 0.54
▸ TSHR P16473 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ PLAU P00749 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ F10 P00742 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL4829005 0.91 KDM4E (0.63) KDM4EALDH1A1ALOX12DEGS1NPC1
SCHEMBL21446855 0.88 KDM4E (0.77) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL19554308 0.84 KDM4E (0.56) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL22213622 0.82 KDM4E (0.57) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL22213559 0.82 KDM4E (0.57) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL7041709 0.81 PLAU (0.52) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL7038894 0.80 PLAU (0.56) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL7033003 0.80 PLAU (0.59) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL19554343 0.79 KDM4E (0.53) KDM4EALDH1A1ALOX12NPC1RAB9A
SCHEMBL7949189 0.79 KDM4E (0.61) 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
Send feedback