SCHEMBL9706834

SCHEMBL9706834

N[C@@H](Cc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.51
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
MMP2 P08253 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC15A1 P46059 1/20 0.41
CTSL P07711 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL27355184 0.83 MC4R (0.56) MC4RMMP2RAB9ANPC1MEN1
SCHEMBL7737719 0.81 RAB9A (0.55) MC4RITGA4ITGB7MMP2RAB9A
SCHEMBL7719201 0.79 MC4R (0.53) MC4RMMP2RAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL15789392 0.78 KDM1A (0.57)
Hydrochloric Acid SCHEMBL15788994 0.78 KDM1A (0.57)
SCHEMBL11210582 0.78 MC4R (0.51) MC4RITGA4ITGB7MMP2RAB9A
SCHEMBL10707249 0.75 MC4R (0.46) MC4RITGA4ITGB7MMP2RAB9A
SCHEMBL10888831 0.75 RAB9A (0.49) MC4RITGA4ITGB7MMP2RAB9A
SCHEMBL10420283 0.74 HDAC1 (0.40) KMT2ASMN1; SMN2SLC15A1TDP1
SCHEMBL7400156 0.74 ITGA4 (0.55) ITGA4ITGB7RAB9ANPC1MEN1

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
EP-0464388-A1 Detection assays having chromogenic and nonchromogenic, hypocromogenic, bathochromogenic or hypsochromogenic substrates TECHNICON INSTRUMENTS CORPORATION (a New York corporation) (US) 1992-01-08 EP disclosed