SCHEMBL7713155

SCHEMBL7713155

NC(c1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAOB P27338 5/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NR4A2 P43354 1/20 0.50
SGMS2 Q8NHU3 1/20 0.49
TACR1 P25103 2/20 0.49
BCHE P06276 2/20 0.47

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
SCHEMBL7713126 0.86 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2MAOBRXRARXRB
SCHEMBL3823697 0.83 RXRA (0.69) MAOBRXRARXRBRXRGCYP4F2
SCHEMBL12446273 0.82 SMN1; SMN2 (0.63) KMT2ASMN1; SMN2MAOBCYP4F2CYP4A11
SCHEMBL19415790 0.82 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2MAOBCYP4F2CYP4A11
SCHEMBL5772666 0.82 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2MAOBCYP4F2CYP4A11
SCHEMBL5772678 0.82 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2MAOBCYP4F2CYP4A11
SCHEMBL2459328 0.80 KMT2A (0.52) KMT2ASMN1; SMN2MAOBRXRARXRB
SCHEMBL6727908 0.80 MAPK1 (0.56) KMT2ASMN1; SMN2MAOBSGMS2
Hydrochloric Acid SCHEMBL2463286 0.79 KMT2A (0.51) KMT2ASMN1; SMN2MAOBCYP4F2CYP4A11
SCHEMBL2749197 0.79 KMT2A (0.63) KMT2ASMN1; SMN2MAOBCYP4F2CYP4A11

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed