SCHEMBL27976243

SCHEMBL27976243

Nc1ccc2ccccc2c1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM1A O60341 1/20 0.47
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
KEAP1 Q14145 1/20 0.43
MAOA P21397 1/20 0.42
HPRT1 P00492 2/20 0.41
CYP2A6 P11509 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.41
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.38
RCE1 Q9Y256 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5623654 0.88 ALDH1A1 (0.50) MAPTTSHRALDH1A1HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL5967545 0.86 ALDH1A1 (0.48) MAPTKMT2ATSHRALDH1A1HSD17B10
SCHEMBL30867648 0.82 KDM1A (0.40) MAPTKDM4EGLAKMT2AKDM1A
SCHEMBL22497614 0.81 ALDH1A1 (0.43) MAPTTSHRALDH1A1HSD17B10CYP3A4
SCHEMBL1052575 0.78 MAPT (0.52) MAPTKDM4EGLAKMT2AKDM1A
SCHEMBL676532 0.77 MAPT (0.50) MAPTKDM4EGLAKMT2AKDM1A
SCHEMBL5992678 0.77 KDM4E (0.50) MAPTKDM4EGLAKMT2ATSHR
SCHEMBL15345400 0.77 KDM4E (0.46) MAPTKDM4EGLAKMT2AKDM1A
Pyrimidine SCHEMBL5624365 0.77 ALDH1A1 (0.39) MAPTKDM4EKMT2AKDM1ATSHR
SCHEMBL14342957 0.76 GAA (0.40) MAPTKDM4EKDM1ATSHRALDH1A1

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
CN-104045265-A Nanometer crack-resisting waterproof agent QINGDAO CHENQING INFORMATION TECHNOLOGY CO LTD 2014-09-17 CN disclosed