SCHEMBL28596302

SCHEMBL28596302

CCCCCCCCCCCCCCCCCCCCCCCCc1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.49
CNR2 P34972 4/20 0.49
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR8 Q9NR97 3/20 0.41
HTR2A P28223 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SRC P12931 1/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11117159 1.00 CNR1 (0.49) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL10347952 0.98 CNR1 (0.48) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL360104 0.98 CNR1 (0.47) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL31006478 0.93 CNR1 (0.44) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL7614771 0.93 CNR1 (0.44) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL14825180 0.90 CNR1 (0.48) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL12798389 0.90 HTR2A (0.46) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL434114 0.88 TLR8 (0.44) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL16541659 0.87 TSHR (0.51) CNR2MEN1MAPTKMT2AKDM4E
SCHEMBL401602 0.86 CNR1 (0.44) CNR1CNR2MEN1MAPTKMT2A

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-113166334-B Amino acid grafted polymers with smoke handling properties 雅富顿化学公司 2022-06-21 CN disclosed
CN-113166334-A Amino acid grafted polymers with smoke handling properties 雅富顿化学公司 2021-07-23 CN disclosed