SCHEMBL13190096

SCHEMBL13190096

CCOC(=O)c1cc(NO)c(NC)cc1OCC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.36
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 2/20 0.34
MAPT P10636 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL670579 0.85 ALDH1A1 (0.40) ALDH1A1ALOX15HPGDSMN1; SMN2POLB
SCHEMBL671042 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2POLBGALR2
SCHEMBL13190097 0.78 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDSMN1; SMN2POLB
SCHEMBL15268117 0.78 KMT2A (0.41) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL16448805 0.77 ABCB1 (0.45) ALDH1A1HPGDSMN1; SMN2LMNANPSR1
SCHEMBL1725466 0.77 ALDH1A1 (0.45) ALDH1A1ALOX15HPGDSMN1; SMN2LMNA
SCHEMBL1672502 0.72 GAA (0.48) ALDH1A1ALOX15HPGDSMN1; SMN2LMNA
SCHEMBL11951456 0.71 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MITFLMNATSHR
SCHEMBL11962194 0.71 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2HSP90AA1TSHR
SCHEMBL27903410 0.71 HNF4A (0.33) ALDH1A1HPGDSMN1; SMN2POLBGALR2

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-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed