SCHEMBL9014962

SCHEMBL9014962

C=CCc1c(O)c(N)cc(N)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
GABRA1 P14867 6/20 0.37
GABRB2 P47870 6/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH2 P05091 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARD Q03181 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IMPDH2 P12268 1/20 0.36
POLB P06746 1/20 0.35
TNKS O95271 2/20 0.34

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
SCHEMBL11639061 0.78 GABRA1 (0.38) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL31330939 0.77 GABRA1 (0.41) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL9538794 0.77 HPGD (0.33) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL11874173 0.76 XDH (0.45) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL6273663 0.75 GABRA1 (0.39) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL27666704 0.74 GABRA1 (0.47) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL11667091 0.73 AURKA (0.40) GABRA1GABRB2ALDH1A1IMPDH2POLB
SCHEMBL5666176 0.73 IMPDH2 (0.36) NPSR1IMPDH2
SCHEMBL29105365 0.72 GABRA1 (0.43) XDHGABRA1GABRB2KDM4EGAA
SCHEMBL790695 0.72 GABRA1 (0.41) XDHGABRA1GABRB2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453542-A Preparation of 4,6-diaminoresorcinol through a bisazoarylresorcinol intermediate THE DOW CHEMICAL COMPANY (US) 1995-09-26 US claimed
EP-0746540-A1 PREPARATION OF 4,6-DIAMINORESORCINOL THROUGH A BISAZOARYLRESORCINOL INTERMEDIATE THE DOW CHEMICAL COMPANY (US) 1996-12-11 EP disclosed
US-5453542-A Preparation of 4,6-diaminoresorcinol through a bisazoarylresorcinol intermediate THE DOW CHEMICAL COMPANY (US) 1995-09-26 US disclosed
WO-1995023130-A1 PREPARATION OF 4,6-DIAMINORESORCINOL THROUGH A BISAZOARYLRESORCINOL INTERMEDIATE THE DOW CHEMICAL COMPANY (US) 1995-08-31 WO disclosed