SCHEMBL6444240

SCHEMBL6444240

CCCc1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CNR2 P34972 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
POLB P06746 1/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
PKM P14618 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
SCHEMBL2638154 0.92 TRPV1 (0.38) CNR2ADORA3LMNASMN1; SMN2TRPV1
SCHEMBL5873319 0.92 TRPV1 (0.38) CNR2ADORA3LMNASMN1; SMN2TRPV1
SCHEMBL2638398 0.92 KDM4E (0.34) NPC1RAB9ACYP3A4CYP2D6LMNA
SCHEMBL2637632 0.90 TLR8 (0.34) NPC1RAB9ACYP3A4CYP2D6KDM4E
SCHEMBL16182319 0.89 FFAR1 (0.39) MCHR1
SCHEMBL13715027 0.89 ALDH1A1 (0.34) LMNASMN1; SMN2MCHR1POLBKCNJ6
SCHEMBL6860638 0.86 HTR2A (0.34) NPC1RAB9ACYP3A4CYP2D6KDM4E
SCHEMBL13743566 0.86 MCHR1 (0.31) MCHR1
SCHEMBL13546033 0.86 KDM4E (0.35) LMNAKDM4ESMN1; SMN2MCHR1POLB
SCHEMBL769298 0.85 NPC1 (0.36) NPC1RAB9ACNR2CYP3A4CYP2D6

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-20050123691-A1 Photo-cured and stabilized coatings SUHADOLNIK JOSEPH (US) 2005-06-09 US disclosed