SCHEMBL11740631

SCHEMBL11740631

Cc1ccc2[nH]c(C(=O)O)cc2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GRIN1 Q05586 3/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PIN1 Q13526 1/20 0.50
RHEB Q15382 6/20 0.48
EIF4A3 P38919 1/20 0.48
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
NGFR P08138 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN2A Q12879 2/20 0.46

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
SCHEMBL708527 0.83 GRIN1 (0.57) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL3107966 0.83 ALDH1A1 (0.54) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL19331227 0.83 CYP1A2 (0.45) KDM4EALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL8911576 0.81 KDM4E (0.53) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL19332451 0.80 ALOX15 (0.57) KDM4ELMNAALDH1A1HSD17B10MEN1
SCHEMBL11744575 0.80 KDM4E (0.51) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL6161388 0.80 DAO (0.58) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL3096730 0.80 GRIN1 (0.54) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL29425136 0.80 DAO (0.58) KDM4ELMNAALDH1A1HSD17B10GRIN1
SCHEMBL3110626 0.80 KDM4E (0.59) KDM4ELMNAALDH1A1HSD17B10GRIN1

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-4060626-A Indole-carboxylic carbon compounds and pharmaceutical compositions containing them BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-11-29 US disclosed