SCHEMBL9051628

SCHEMBL9051628

CC(C)(C)c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 2/20 0.61
MITF O75030 1/20 0.61
TP53 P04637 1/20 0.61
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NR2F2 P24468 1/20 0.43
XDH P47989 1/20 0.42
GCGR P47871 1/20 0.42
TNIK Q9UKE5 1/20 0.41
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AXL P30530 1/20 0.39

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
SCHEMBL13024368 0.88 TNIK (0.47) ALDH1A1KMT2AMITFTP53NPC1
SCHEMBL18279956 0.83 KMT2A (0.43) ALDH1A1KMT2AMITFTP53NPC1
SCHEMBL20414933 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMITFTP53NPC1
SCHEMBL5352040 0.83 SMN1; SMN2 (0.56) ALDH1A1KMT2AMITFTP53NPC1
SCHEMBL6331111 0.81 AXL (0.54) KMT2ANPC1RAB9AMEN1GCGR
SCHEMBL3472227 0.79 MEN1 (0.56) ALDH1A1KMT2ATP53NPC1RAB9A
SCHEMBL18216836 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AMITFTP53NPC1
SCHEMBL22353107 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AMITFTP53NPC1
SCHEMBL14624000 0.79 RAB9A (0.55) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL13024370 0.79 MAPT (0.61) ALDH1A1KMT2ATP53NPC1RAB9A

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
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed