SCHEMBL6860638

SCHEMBL6860638

CC(O)Cc1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KCNJ6 P48051 2/20 0.33
KCNJ5 P48544 2/20 0.33
KCNJ3 P48549 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
MC4R P32245 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CSNK1D P48730 1/20 0.30
AKR1B1 P15121 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6444240 0.86 NPC1 (0.33) KCNJ6KCNJ5KCNJ3NPC1RAB9A
SCHEMBL2638398 0.86 KDM4E (0.34) KCNJ6KCNJ5KCNJ3NPC1RAB9A
SCHEMBL2637632 0.85 TLR8 (0.34) NPC1RAB9ACYP3A4CYP2D6TP53
SCHEMBL16182319 0.84 FFAR1 (0.39)
SCHEMBL769298 0.84 NPC1 (0.36) NPC1RAB9ACYP3A4CYP2D6KDM4E
SCHEMBL29376453 0.84 NPC1 (0.36) NPC1RAB9ACYP3A4CYP2D6KDM4E
SCHEMBL13715027 0.83 ALDH1A1 (0.34) KCNJ6KCNJ5KCNJ3MC4RTSHR
SCHEMBL2638154 0.83 TRPV1 (0.38)
SCHEMBL5873319 0.83 TRPV1 (0.38)
SCHEMBL769171 0.83 NPC1 (0.36) NPC1RAB9ACYP3A4CYP2D6CYP1A2

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
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US claimed