SCHEMBL11809752

SCHEMBL11809752

O=C(C(Cl)Cl)N(Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Cc1ccc(CN(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(=O)C(Cl)Cl)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP13 P45452 1/20 0.40
SLC2A1 P11166 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KCNH2 Q12809 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
MYOC Q99972 1/20 0.38
NR3C1 P04150 1/20 0.38
SRD5A2 P31213 1/20 0.38
MGLL Q99685 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL11778961 0.89 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MMP13CRHBP
SCHEMBL11780654 0.86 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MMP13SLC2A1
SCHEMBL11782643 0.84 LMNA (0.49) LMNAALDH1A1SMN1; SMN2MMP13CRHBP
SCHEMBL11779835 0.82 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MMP13SLC2A1
SCHEMBL11777030 0.82 MMP13 (0.44) LMNAALDH1A1SMN1; SMN2MMP13SLC2A1
SCHEMBL11780552 0.81 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MMP13CRHBP
Clefamide SCHEMBL672628 0.81 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MMP13CRHBP
SCHEMBL11780196 0.81 MC4R (0.53) LMNAALDH1A1SMN1; SMN2MMP13CRHBP
SCHEMBL11780000 0.81 MC4R (0.53) LMNAALDH1A1SMN1; SMN2MMP13CRHBP
SCHEMBL11780973 0.81 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2MMP13CRHBP

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