SCHEMBL11780552

SCHEMBL11780552

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)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
MMP13 P45452 3/20 0.40
SRD5A2 P31213 1/20 0.40
NR3C1 P04150 1/20 0.39
MGLL Q99685 1/20 0.39
HSPB1 P04792 1/20 0.39
KCNH2 Q12809 2/20 0.38
MMP1 P03956 2/20 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
SCHEMBL11778961 0.92 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11782643 0.87 LMNA (0.49) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11779835 0.85 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2CRHBPCRHR2
SCHEMBL11780196 0.84 MC4R (0.53) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
Clefamide SCHEMBL672628 0.84 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11780000 0.84 MC4R (0.53) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11780654 0.82 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11780202 0.82 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11809752 0.81 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL11778824 0.81 MEN1 (0.44) LMNAALDH1A1SMN1; SMN2MAPTCRHBP

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