SCHEMBL1737544

SCHEMBL1737544

C=CCn1c(C)c(C)c2cc(F)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GRIN2D O15399 6/20 0.37
GRIN3B O60391 6/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2A Q12879 6/20 0.37
GRIN2B Q13224 6/20 0.37
GRIN2C Q14957 6/20 0.37
GRIN3A Q8TCU5 6/20 0.37
KDM4E B2RXH2 4/20 0.37
CHRM1 P11229 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 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
Hydrochloric Acid SCHEMBL1735877 0.99 MAPT (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1737382 0.88 GRIN2D (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1736805 0.88 MAPT (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1737177 0.87 GRIN2D (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1739573 0.86 NUDT1 (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1739572 0.86 GRIN2D (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1736122 0.85 NUDT1 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1737162 0.85 MAPT (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1736120 0.85 GRIN2D (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1737996 0.85 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2NPSR1GRIN2D

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed