SCHEMBL7419247

SCHEMBL7419247

CCC(=O)Cc1cccc(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
HTT P42858 1/20 0.38

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
Ethylene SCHEMBL7415840 0.97 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7415121 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7012337 0.88 MAPT (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
Ethylene SCHEMBL7413517 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7407879 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7010374 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7412813 0.85 TRPV1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
Ethylene SCHEMBL7411102 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
Ethylene SCHEMBL7414666 0.83 TRPV1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL16959264 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed