SCHEMBL13620532

SCHEMBL13620532

CCC(C)n1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.34
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL23430530 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL862264 0.76 ALDH1A1 (0.46) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL24440533 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRGAAPDE10A
SCHEMBL24440325 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRGAAPDE10A
SCHEMBL24440474 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRGAAPDE10A
SCHEMBL12421480 0.72 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL862366 0.71 ALDH1A1 (0.55) ALDH1A1TSHRGAAKDM4ELMNA
SCHEMBL21025412 0.71 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRTNFLITAF
SCHEMBL862542 0.69 ALDH1A1 (0.53) ALDH1A1GAAKDM4ETDP1POLB
SCHEMBL3437734 0.69 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAKMT2AKDM4E

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-2119739-A2 Polyimide, polyamic acid and processes for the production thereof Mitsubishi Gas Chemical Company, Inc. (JP) 2009-11-18 EP disclosed