SCHEMBL7140833

SCHEMBL7140833

O=C(O)c1cccc(-c2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.60
SYK P43405 1/20 0.52
KDM4C Q9H3R0 2/20 0.52
SRD5A2 P31213 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
AURKA O14965 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
NR4A2 P43354 1/20 0.49
KDM2B Q8NHM5 1/20 0.48
IP6K1 Q92551 1/20 0.48
IP6K3 Q96PC2 1/20 0.48
IP6K2 Q9UHH9 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
RXRA P19793 1/20 0.48

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
SCHEMBL30775369 0.91 KMO (0.65) KMOSYKKDM4CSRD5A2MEN1
SCHEMBL27910329 0.87 SYK (0.53) KMOSYKKDM4EAURKAMRGPRX4
Nitrous Acid SCHEMBL29163822 0.86 KMO (0.60) KMOSYKKDM4CSRD5A2MEN1
SCHEMBL4900014 0.85 KMO (0.72) KMOSYKKDM4CSRD5A2MEN1
SCHEMBL30393660 0.82 RXRA (0.63) KMOSRD5A2MEN1KMT2AKDM4E
SCHEMBL15498897 0.82 KMO (0.49) KMOKDM4EALDH1A1
SCHEMBL177461 0.82 RXRA (0.63) KMOSRD5A2MEN1KMT2AKDM4E
SCHEMBL2625107 0.82 ASIC3 (0.53) KMOKDM4EALDH1A1NPC1RAB9A
SCHEMBL18356745 0.81 HSD17B1 (0.52) KMOSYK
SCHEMBL4901517 0.81 KMO (0.60) KMOSYKKDM4CMEN1KMT2A

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
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed