SCHEMBL28660747

SCHEMBL28660747

CCc1c(C(=O)O)n(C#N)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
FOLH1 Q04609 2/20 0.42
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
EGFR P00533 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL27779382 0.80 KDM4E (0.46) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20139846 0.80 FOLH1 (0.47) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL2272671 0.78 MEN1 (0.62) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL14119038 0.78 MEN1 (0.46) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL28280817 0.78 KDM4E (0.59) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL28660724 0.77 MEN1 (0.45) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL28659959 0.75 MEN1 (0.44) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL28662112 0.75 MEN1 (0.43) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL28665614 0.75 MEN1 (0.44) MEN1KMT2APOLBFOLH1KDM4E
SCHEMBL10383765 0.73 FOLH1 (0.71) MEN1KMT2APOLBFOLH1KDM4E

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-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed