SCHEMBL7276183

SCHEMBL7276183

O=C(CCOCc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
GAA P10253 1/20 0.55
PHGDH O43175 1/20 0.53
NPC1 O15118 2/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
HCAR3 P49019 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7277610 0.89 PHGDH (0.55) RAB9AGAAPHGDHNPC1HDAC1
SCHEMBL13529663 0.82 PHGDH (0.62) RAB9AGAAPHGDHNPC1HDAC1
SCHEMBL13529610 0.81 KMT2A (0.50) RAB9AGAAPHGDHNPC1HDAC1
SCHEMBL7284215 0.78 POLB (0.54) RAB9AGAANPC1HDAC1SMN1; SMN2
SCHEMBL25877853 0.78 MEN1 (0.73) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL641989 0.75 PHGDH (0.77) RAB9AGAAPHGDHNPC1HDAC1
SCHEMBL7278132 0.75 PHGDH (0.68) RAB9AGAAPHGDHNPC1HDAC1
SCHEMBL10376329 0.73 PHGDH (0.70) RAB9AGAAPHGDHNPC1HDAC1
SCHEMBL13870767 0.72 KMT2A (0.57) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL13110888 0.72 PHGDH (0.68) RAB9AGAAPHGDHNPC1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137918-A Anticancer agent GOEDECKE AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0242851-A1 N-(2'-aminophenyl)-benzamide derivatives, process for their manufacture and their application in the treatment of neoplastic illness GÖDECKE AKTIENGESELLSCHAFT (DE) 1987-10-28 EP disclosed