SCHEMBL17499561

SCHEMBL17499561

COc1cc(C)ccc1/N=C/c1cn(C)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.41
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 5/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 7/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 5/20 0.36
PKM P14618 2/20 0.35

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
SCHEMBL16096009 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL16101261 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL16101259 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL16100106 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL28040314 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL16101460 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL16101461 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2GLA
SCHEMBL17499198 0.77 CYP1B1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1B1
SCHEMBL17499197 0.77 CYP1B1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1B1
SCHEMBL17499739 0.76 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed