SCHEMBL4771089

SCHEMBL4771089

Cc1c(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.49
KDR P35968 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
IGF1R P08069 5/20 0.43
AURKA O14965 1/20 0.43
JAK2 O60674 1/20 0.43
RPS6KA5 O75582 1/20 0.43
ABL1 P00519 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
KIT P10721 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
PRKACA P17612 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL4765747 0.95 MET (0.46) METKDRSMN1; SMN2MAPTMEN1
SCHEMBL4773051 0.81 MAPT (0.56) METSMN1; SMN2MAPTALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL4774586 0.77 MAPT (0.51) METSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL4774462 0.77 RAB9A (0.59) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4765386 0.77 TP53 (0.55) METSMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL4765424 0.77 HRH3 (0.47) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A
SCHEMBL5459684 0.76 HRH3 (0.53) SMN1; SMN2MEN1KMT2ATP53POLB
SCHEMBL4770555 0.76 NPC1 (0.51) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A
SCHEMBL4777120 0.76 NPY5R (0.54) METKDRSMN1; SMN2MAPTTP53
SCHEMBL4768161 0.76 POLB (0.56) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed