SCHEMBL21240056

SCHEMBL21240056

[CH]=Cc1ccc(C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
CYP1A2 P05177 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2A6 P11509 2/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NCK1 P16333 1/20 0.32
BACE1 P56817 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL136361 0.77 ALDH1A1 (0.50) NQO2CYP1A2ALDH1A1CYP2A6L3MBTL1
SCHEMBL2141046 0.77 TDP1 (0.40) NQO2CYP1A2ALDH1A1CYP2A6MAPK1
SCHEMBL29387108 0.77 ALDH1A1 (0.50) NQO2CYP1A2ALDH1A1CYP2A6L3MBTL1
SCHEMBL20972366 0.76 AMY1A (0.44) NQO2CYP1A2ALDH1A1CYP2A6MEN1
SCHEMBL31384006 0.76 ALDH1A1 (0.38) NQO2CYP1A2ALDH1A1CYP2A6MAPK1
SCHEMBL16863860 0.76 ALDH1A1 (0.38) NQO2CYP1A2ALDH1A1CYP2A6MAPK1
SCHEMBL4331368 0.71 ALOX5 (0.47) NQO2CYP1A2ALDH1A1CYP2A6MEN1
SCHEMBL21012154 0.71 POLB (0.42) ALDH1A1MAPK1NPC1RAB9AMEN1
SCHEMBL29471000 0.69
SCHEMBL171890 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524639-B1 VEHICLE TYRES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2020-10-07 EP claimed
EP-3524639-A1 VEHICLE TYRES Continental Reifen Deutschland GmbH (DE) 2019-08-14 EP claimed
EP-3524639-B1 VEHICLE TYRES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2020-10-07 EP disclosed
EP-3524639-A1 VEHICLE TYRES Continental Reifen Deutschland GmbH (DE) 2019-08-14 EP disclosed