SCHEMBL11035864

SCHEMBL11035864

C=CCc1cc(CNC(=O)C(=C)C)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 4/20 0.35
HTR2C P28335 1/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
PKM P14618 4/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 3/20 0.32
USP2 O75604 3/20 0.32
HTT P42858 2/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28019476 0.84 THRA (0.37) NPC1RAB9APOLBMAPTTDP1
SCHEMBL8809730 0.84 NPC1 (0.50) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL712510 0.81 NPC1 (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9408839 0.80 NPC1 (0.41) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL346033 0.80 SETDB1 (0.40) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9603768 0.80 NPC1 (0.42) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL508931 0.78 NPC1 (0.34) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11408530 0.77 NPC1 (0.34) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL9408934 0.77 NPC1 (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6530701 0.76 PTPN1 (0.39) NPC1RAB9APOLBMEN1KMT2A

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-4576870-A ACRYLIC POLYMER AS UV ABSORBER ROHM GMBH (DE) 1986-03-18 US disclosed