SCHEMBL20139846

SCHEMBL20139846

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
STAT3 P40763 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CCR2 P41597 1/20 0.41

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
SCHEMBL28280817 0.85 KDM4E (0.59) FOLH1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL10383765 0.80 FOLH1 (0.71) FOLH1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28660747 0.80 MEN1 (0.43) FOLH1ALDH1A1MAPK1STAT3KDM4E
SCHEMBL14119038 0.79 MEN1 (0.46) FOLH1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL20140769 0.79 FOLH1 (0.48) FOLH1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2272671 0.76 MEN1 (0.62) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28660724 0.75 MEN1 (0.45) FOLH1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28659959 0.73 MEN1 (0.44) FOLH1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28665614 0.72 MEN1 (0.44) FOLH1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28662112 0.72 MEN1 (0.43) FOLH1KDM4ESMN1; SMN2MEN1KMT2A

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed