SCHEMBL7748934

SCHEMBL7748934

CNc1cccc(Cl)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PBRM1 Q86U86 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
CYP1A2 P05177 1/20 0.42
CXCL8 P10145 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL2744206 0.83 PBRM1 (0.60) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL9840008 0.83 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2PBRM1MEN1
Hydrochloric Acid SCHEMBL8512694 0.81 PBRM1 (0.58) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL9609179 0.80 POLB (0.53) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL320037 0.80 ALDH1A1 (0.61) ALDH1A1GLAMAPTTSHRLMNA
SCHEMBL9513469 0.79 KDM4E (0.43) ALDH1A1KDM4EGLAGAAPOLB
SCHEMBL14454097 0.79 POLB (0.43) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL22520945 0.79 CES2 (0.48) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL3816160 0.79 ALDH1A1 (0.42) ALDH1A1MAPTPOLBPBRM1MEN1
SCHEMBL8857062 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAMAPT

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
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
JP-2001002687-A PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 2001-01-09 JP disclosed