SCHEMBL9698991

SCHEMBL9698991

Nc1cc(N)c(C(=O)O)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
KDM4E B2RXH2 8/20 0.56
KMT2A Q03164 5/20 0.56
GFER P55789 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TDP1 Q9NUW8 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
THRB P10828 3/20 0.54
POLB P06746 2/20 0.54
RECQL P46063 2/20 0.54
USP2 O75604 1/20 0.54
PKM P14618 1/20 0.54
APEX1 P27695 1/20 0.54
BLM P54132 1/20 0.54
MCL1 Q07820 1/20 0.54
GLA P06280 1/20 0.52
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 7/20 0.50
CDC25B P30305 1/20 0.50

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
SCHEMBL987442 0.94 IDO1 (0.62) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL1553594 0.92 IDO1 (0.60) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL29069489 0.92 IDO1 (0.60) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL1552376 0.89 IDO1 (0.58) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL2888317 0.88 KDM4E (0.54) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL5847061 0.84 IDO1 (0.54) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL713605 0.84 IDO1 (0.54) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL15835587 0.82 IDO1 (0.52) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL17779181 0.82 ALDH1A1 (0.54) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL4395397 0.82 IDO1 (0.52) IDO1KDM4EKMT2AGFERRXFP1

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-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed