SCHEMBL7369613

SCHEMBL7369613

Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N[C@H]2CC[C@@H](O)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 7/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 2/20 0.42
PDE5A O76074 2/20 0.41
CCR2 P41597 1/20 0.41
RAB9A P51151 2/20 0.40
RORC P51449 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL7367021 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKMT2ACYP1A2CYP3A4
SCHEMBL6946424 0.92 MAPT (0.48) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL6946420 0.92 MAPT (0.48) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL6941319 0.89 PDE5A (0.52) SMN1; SMN2MAPTKMT2AMEN1PDE5A
SCHEMBL6944497 0.89 PDE5A (0.52) SMN1; SMN2MAPTKMT2AMEN1PDE5A
SCHEMBL6941322 0.89 PDE5A (0.52) SMN1; SMN2MAPTKMT2AMEN1PDE5A
SCHEMBL6941929 0.86 MAPT (0.45) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL6941936 0.86 MAPT (0.45) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL6940780 0.85 NPSR1 (0.43) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL6940784 0.85 NPSR1 (0.43) SMN1; SMN2MAPTKMT2AALDH1A1LMNA

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-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed