SCHEMBL28026591

SCHEMBL28026591

c1ccc2cc(Oc3ccnnn3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.50
GAA P10253 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
RAB9A P51151 2/20 0.41
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
ENPP1 P22413 1/20 0.41
XIAP P98170 1/20 0.41
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
AGXT P21549 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALOX5 P09917 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5687361 0.83 CYP1A2 (0.38) HAO1CYP1A2RAB9AMEN1KMT2A
SCHEMBL108194 0.81 BCAT2 (0.50) HAO1CYP1A2RAB9AHTTMEN1
SCHEMBL8517767 0.76 CYP3A4 (0.39) RAB9AHTTMEN1KMT2AMAPT
SCHEMBL26556 0.76 MEN1 (0.31) HTTMEN1KMT2AALDH1A1
SCHEMBL5586068 0.74 ALDH1A1 (0.48) GAARAB9AMEN1KMT2AMAOA
SCHEMBL5686802 0.74 MEN1 (0.48) GAAHTTMEN1KMT2AMAPK1
SCHEMBL3393029 0.74 HTT (0.51) HAO1GAARCE1CYP1A2CYP2A6
SCHEMBL4722985 0.73
SCHEMBL395026 0.73 CYP1A2 (0.64) HAO1GAARCE1CYP1A2CYP2A6
SCHEMBL29366638 0.73 CYP1A2 (0.64) HAO1GAARCE1CYP1A2CYP2A6

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-103757944-B Composite printing and dyeing auxiliary as well as preparation method and application of auxiliary Fu kejie 2015-07-01 CN claimed
CN-105256613-A Printing and dyeing auxiliary agent, and preparation method and application thereof ZHU ZHONGLIANG 2016-01-20 CN disclosed