SCHEMBL9603007

SCHEMBL9603007

COS(=O)(=O)O.O=C(O)c1ccc2nc3ccccc3nc2c1

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 4/20 0.56
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
HTT P42858 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NSD2 O96028 1/20 0.47
THRB P10828 1/20 0.47
PABPC1 P11940 1/20 0.47

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
SCHEMBL31017306 0.85 RAB9A (0.73) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4939164 0.85 RAB9A (0.73) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2
Phenazine SCHEMBL94396 0.82 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Phenazine SCHEMBL10876543 0.82 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Phenazine SCHEMBL2873102 0.82 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5696651 0.80 TDP1 (0.77) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL21723107 0.80 TDP1 (0.77) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9602629 0.78 MEN1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4063489 0.78 KMT2A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Benzoic Acid SCHEMBL28655261 0.76 TSHR (0.61) ALDH1A1SMN1; SMN2PKMLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250676-B1 NON-ENZYMATIC IMMUNOHISTOCHEMICAL STAINING SYSTEM AND REAGENTS Immunomedics, Inc. (US) 1993-03-10 EP disclosed
US-4792521-A Non-enzymatic immunohistochemical staining system and reagents IMMUNOMEDICS, INC. (US) 1988-12-20 US disclosed
EP-0250676-A2 Non-enzymatic immunohistochemical staining system and reagents Immunomedics, Inc. (US) 1988-01-07 EP disclosed