SCHEMBL7012972

SCHEMBL7012972

CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3(C)C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 8/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 2/20 0.40
PLAU P00749 1/20 0.40
NPC1 O15118 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
NR4A1 P22736 1/20 0.39
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7011258 0.90 TP53 (0.39) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7010421 0.90 KCNQ3 (0.47) KMT2AMAPTLMNASMN1; SMN2RAB9A
SCHEMBL7010110 0.89 MAPT (0.52) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7013917 0.86 MEN1 (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7009245 0.82 MEN1 (0.42) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7007120 0.82 NAMPT (0.46) KMT2AMEN1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7011120 0.81 NAMPT (0.46) KMT2AMEN1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7847160 0.81 MEN1 (0.42) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7013043 0.80 KCNQ3 (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7011226 0.80 MAPT (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2

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-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed