SCHEMBL23653363

SCHEMBL23653363

C=CC(=O)Nc1ccccc1NN

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.55
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
BTK Q06187 1/20 0.44
F13A1 P00488 1/20 0.43
LMNA P02545 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
EGFR P00533 1/20 0.41
MAPK3 P27361 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
GSTO1 P78417 2/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31228347 0.90 TGM2 (0.65) TGM2PTPN1PTPN11BTKF13A1
SCHEMBL613090 0.90 TGM2 (0.65) TGM2PTPN1PTPN11BTKF13A1
SCHEMBL2761954 0.82 TGM2 (0.62) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL17524758 0.81 TGM2 (0.55) TGM2PTPN1PTPN11BTKF13A1
SCHEMBL29416535 0.81 TGM2 (0.55) TGM2PTPN1PTPN11
SCHEMBL2316517 0.81 TGM2 (0.55) TGM2PTPN1PTPN11
SCHEMBL15938830 0.80 TGM2 (0.50) TGM2PTPN1PTPN11BTKF13A1
Hydrochloric Acid SCHEMBL29278808 0.79 TGM2 (0.53) TGM2PTPN1PTPN11
SCHEMBL7417077 0.79 GAA (0.57) LMNAKDM4EMAPTALDH1A1RECQL
SCHEMBL9357321 0.78 TGM2 (0.57) TGM2PTPN1PTPN11BTKF13A1

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-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed