SCHEMBL11780756

SCHEMBL11780756

O=C(Nc1ccccc1)N(Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Cc1ccncc1CN(Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
MMP13 P45452 3/20 0.46
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MYOC Q99972 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11784344 0.83 EGFR (0.55) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11782740 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11780973 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11777030 0.82 MMP13 (0.44) ALDH1A1SMN1; SMN2NPSR1LMNAMMP13
SCHEMBL11780770 0.82 FFAR1 (0.52) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11779495 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11784495 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11779457 0.81 HDAC6 (0.53) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11777082 0.81 HDAC6 (0.53) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA
SCHEMBL11776739 0.78 FFAR1 (0.49) ALDH1A1SMN1; SMN2NPSR1FFAR1LMNA

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
US-3940441-A BACTERICIDE STERLING DRUG INC. (US) 1976-02-24 US disclosed