SCHEMBL29109409

SCHEMBL29109409

CNc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
HCAR3 P49019 3/20 0.55
CDC25B P30305 1/20 0.54
DTYMK P23919 1/20 0.46
HTT P42858 1/20 0.45
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 5/20 0.45
TSHR P16473 3/20 0.44
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL8900476 0.90 HCAR3 (0.59) MAPTHCAR3CDC25BDTYMKHTT
SCHEMBL13948943 0.90 HCAR3 (0.59) MAPTHCAR3CDC25BDTYMKHTT
SCHEMBL671475 0.85 MAPT (0.55) MAPTHCAR3CDC25BDTYMKHTT
SCHEMBL11697530 0.83 DTYMK (0.60) MAPTHCAR3DTYMKTSHRALDH1A1
SCHEMBL11641794 0.82 MAPT (0.55) MAPTHCAR3CDC25BHTTAKR1C3
SCHEMBL27669664 0.81 HCAR3 (0.45) MAPTHCAR3CDC25BDTYMKHTT
SCHEMBL13911185 0.81 MAPT (0.53) MAPTHCAR3CDC25BHTTAKR1C3
SCHEMBL2824822 0.80 DTYMK (0.44) MAPTHCAR3CDC25BDTYMKAKR1C3
SCHEMBL2824819 0.80 DTYMK (0.44) MAPTHCAR3CDC25BDTYMKAKR1C3
SCHEMBL26628821 0.80 PDGFRB (0.49) MAPTHCAR3CDC25BHTTKDM4E

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-116648250-A Novel quinazoline derivatives as SOS1 inhibitors and uses thereof 韩美药品株式会社 2023-08-25 CN disclosed