SCHEMBL9152103

SCHEMBL9152103

N#Cc1ccc2c3c([nH]c2c1)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK10 P53779 1/20 0.49
RIPK1 Q13546 1/20 0.49
RORC P51449 1/20 0.48
AR P10275 2/20 0.43
NQO1 P15559 1/20 0.42
F2 P00734 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL4032070 0.87 RORC (0.57) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL541264 0.84 MAPT (0.59) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL21676105 0.81 TAAR1 (0.56) KDM4EKMT2AMAPK10RIPK1
SCHEMBL25183518 0.81 MAPK10 (0.47) KDM4EMEN1KMT2AMAPK10RIPK1
SCHEMBL10099057 0.78 MAPT (0.57) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL9148539 0.77 AR (0.43) MAPTMAPK10RIPK1AR
SCHEMBL20780028 0.77 MAPT (0.56) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL11753126 0.75 MAPT (0.54) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL5458644 0.75 KDM4E (0.57) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL395329 0.75 MAPT (0.54) MAPTSMN1; SMN2KDM4EALDH1A1MEN1

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
US-5451600-A FOR TREATMENT OF INFLAMMATORY DISEASES AND TRAUMA INDUCED INFLAMMATION HOFFMANN-LA ROCHE INC. (US) 1995-09-19 US disclosed