SCHEMBL28847508

SCHEMBL28847508

Cc1cc(N)c([N+](=O)[O-])cc1CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 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
SCHEMBL28847430 0.83 ALDH1A1 (0.41) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL13375299 0.82 TSHR (0.47) TSHRMAPTMEN1KMT2APOLB
SCHEMBL2554501 0.82 TSHR (0.50) TSHRMAPTMEN1KMT2APOLB
SCHEMBL17506789 0.80 MEN1 (0.44) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL28847477 0.79 ALDH1A1 (0.43) TSHRMAPTALDH1A1CYP3A4CYP1A2
SCHEMBL29580615 0.79 PDGFRB (0.51) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL364995 0.78 SMN1; SMN2 (0.46) MAPTL3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL29902938 0.78 MEN1 (0.43) TSHRMAPTMEN1KMT2APOLB
SCHEMBL13375073 0.78 TSHR (0.46) TSHRMAPTMEN1KMT2APOLB
SCHEMBL11219818 0.75 TSHR (0.59) TSHRMAPTMEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 EP disclosed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN disclosed