SCHEMBL634320

SCHEMBL634320

Brc1ccc(NCc2c[nH]cn2)cc1.Clc1cc(Cl)cc(NCc2c[nH]cn2)c1.Clc1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
EGFR P00533 3/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 3/20 0.33
GFER P55789 2/20 0.33
MEN1 O00255 2/20 0.33
AGER Q15109 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL631725 0.86 AGER (0.42) CCNE1CDK2LMNASMN1; SMN2MAPT
SCHEMBL632224 0.86 ALDH1A1 (0.39) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL632032 0.86 MAPT (0.44) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL632231 0.77 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL632743 0.76 MAPT (0.41) LMNASMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL631864 0.75 KDM4E (0.47) SMN1; SMN2EGFRALDH1A1CYP1A2CYP2C19
SCHEMBL631355 0.74 MAPT (0.44) SMN1; SMN2MAPTALDH1A1HPGDL3MBTL1
SCHEMBL632321 0.74 NPC1 (0.43) POLBMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL632276 0.73 SMN1; SMN2 (0.52) LMNASMN1; SMN2MAPTEGFRALDH1A1
SCHEMBL632601 0.71 LMNA (0.44) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1

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-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed