SCHEMBL5273699

SCHEMBL5273699

COc1c(Cl)cc(F)cc1CC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CMA1 P23946 1/20 0.38
CYP1A2 P05177 3/20 0.38
IMPDH2 P12268 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 3/20 0.33
TPMT P51580 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEP1B Q16820 1/20 0.33
P2RX7 Q99572 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8427155 0.82 KMT2A (0.54) KMT2ACYP1A2IMPDH2ALDH1A1KDM4E
SCHEMBL7465002 0.82 ALDH1A1 (0.42) KMT2ACYP1A2IMPDH2ALDH1A1GAA
SCHEMBL5275798 0.81 IMPDH2 (0.36) KMT2AIMPDH2ALDH1A1SMN1; SMN2MEN1
SCHEMBL4619369 0.79 KMT2A (0.41) KMT2ACYP1A2IMPDH2ALDH1A1KDM4E
SCHEMBL14992760 0.78 SMN1; SMN2 (0.35) KMT2AIMPDH2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3759267 0.77 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4835517 0.76 SLC6A2 (0.47) KMT2ACYP1A2GAACYP2D6SMN1; SMN2
SCHEMBL5274054 0.76 TAAR1 (0.53) CYP1A2
SCHEMBL5271915 0.76 KMT2A (0.44) KMT2ACMA1CYP1A2ALDH1A1KDM4E
SCHEMBL9953163 0.76 IMPDH2 (0.37) KMT2ACYP1A2IMPDH2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed