SCHEMBL28459741

SCHEMBL28459741

N#Cc1ccccc1C(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.39
CXCR2 P25025 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
ESR2 Q92731 1/20 0.36
STAT3 P40763 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28901571 0.81 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL7050570 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL31561697 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL20853408 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL26136641 0.78 SRC (0.62) SRCALDH1A1TSHRLMNAMAPK1
SCHEMBL4370515 0.77 GAA (0.41) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL5700710 0.77 L3MBTL1 (0.42) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL11604414 0.76 TSHR (0.46) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL1666927 0.75 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL28335216 0.75 CYP1A2 (0.40) L3MBTL1ALDH1A1GAAKDM4ETSHR

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
CN-111704559-A Method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile 重庆医药高等专科学校 2020-09-25 CN disclosed