SCHEMBL7121176

SCHEMBL7121176

O=[N+]([O-])c1cc([N+](=O)[O-])c(OCc2ccccc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
PIN1 Q13526 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
MERTK Q12866 1/20 0.46
CYP19A1 P11511 4/20 0.45
PTGES O14684 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
VCAM1 P19320 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7116860 0.89 POLB (0.56) POLBCTSVCTSLPIN1MEN1
SCHEMBL29894219 0.88 POLB (0.54) POLBCTSVCTSLPIN1MEN1
SCHEMBL18863826 0.88 POLB (0.54) POLBCTSVCTSLPIN1MEN1
SCHEMBL2568216 0.88 PIN1 (0.52) POLBCTSVCTSLPIN1MEN1
SCHEMBL3110737 0.86 MEN1 (0.53) POLBCTSVCTSLPIN1MEN1
SCHEMBL11419499 0.85 POLB (0.51) POLBCTSVCTSLPIN1MEN1
SCHEMBL5732683 0.85 PIN1 (0.49) POLBCTSVCTSLPIN1MEN1
SCHEMBL29894258 0.85 POLB (0.51) POLBCTSVCTSLPIN1MEN1
SCHEMBL18863840 0.85 POLB (0.51) POLBCTSVCTSLPIN1MEN1
SCHEMBL2145763 0.84 POLB (0.52) POLBCTSVCTSLPIN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125034-C Process for preparing 4,6-diamino-resorcinol dihydrochloride BAYER AG (DE) 2003-10-22 CN disclosed
JP-2003183393-A DIAMINORESORCINOL AND ITS SALT, AND POLYBEZOXAZOLE (PBO) POLYMER AND ITS MOLDED PRODUCT TOYOBO CO LTD 2003-07-03 JP disclosed
EP-0901458-B1 PROCESS FOR PREPARING 4,6-DIAMINO-RESORCINOL-DIHYDROCHLORIDE BAYER AG (DE) 2000-12-20 EP disclosed
US-6093852-A Process for preparing 4,6-diamino-resorcinol dihydrochloride BAYER AKTIENGESELLSCHAFT (DE) 2000-07-25 US disclosed
CN-1219164-A Method for preparing 4, 6-diamino resorcinol dihydrochloride BAYER AG (DE) 1999-06-09 CN disclosed
EP-0710644-B1 Process for the preparation of 4,6-diaminoresorcinol BAYER AG (DE) 1997-09-24 EP disclosed
EP-0710644-A1 Process for the preparation of 4,6-diaminoresorcinol BAYER AG (DE) 1996-05-08 EP disclosed