SCHEMBL19909186

SCHEMBL19909186

OC1C=Nc2ccccc2N1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BRPF1 P55201 1/20 0.31
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30
USP2 O75604 1/20 0.30
PPARG P37231 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL28214746 0.76 CREBBP (0.38) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL27930897 0.75 IDO1 (0.35) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL28297336 0.75 RAB9A (0.41) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL15811147 0.75 RAB9A (0.34) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL24289277 0.75 RAB9A (0.34) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL24265791 0.75 RAB9A (0.41) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL7445218 0.75 RAB9A (0.34) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL8960968 0.75 RAB9A (0.34) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL2904167 0.75 MAPT (0.40) RAB9AMEN1KMT2AKDM4EGAA
SCHEMBL35211808 0.72 CES2 (0.33) RAB9AGAAMAPTBRPF1CREBBP

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
EP-3122451-B1 POROUS FILMS COMPRISING METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2018-02-28 EP disclosed