SCHEMBL28504376

SCHEMBL28504376

C=C(C)n1c(N)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 4/20 0.55
PKM P14618 2/20 0.55
NOS2 P35228 1/20 0.52
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
NOD1 Q9Y239 2/20 0.51
ASAH1 Q13510 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.50
IDO1 P14902 1/20 0.48
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CXCR4 P61073 1/20 0.46

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
SCHEMBL14495652 0.80 TSHR (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28820818 0.80 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL6589381 0.79 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28820650 0.78 POLB (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL116004 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6234453 0.76 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11702245 0.75 L3MBTL1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17360619 0.75 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28622689 0.75 KDM4E (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11830006 0.72 L3MBTL1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
CN-112080194-B Self-luminous pavement 江苏固迈新材料技术有限公司 2022-02-11 CN disclosed
CN-112080194-A Self-luminous pavement 江苏固迈新材料技术有限公司 2020-12-15 CN disclosed