SCHEMBL8725699

SCHEMBL8725699

Nc1n[nH]c(-c2ccc(Cl)c3ccccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
CYP1A2 P05177 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 2/20 0.50
ALPL P05186 2/20 0.49
CYP2A6 P11509 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL8725571 0.81 DCUN1D1 (0.62) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL31305459 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL1399839 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL10822462 0.72 HTR2B (0.55) ALDH1A1KDM4ECYP1A2KMT2ACYP2A6
SCHEMBL8731214 0.69 ALPL (0.66) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL2847578 0.69 KDM4E (1.00) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL21223540 0.67 CYP1A2 (0.48) KDM4ECYP1A2KMT2AMEN1CYP2A6
SCHEMBL2493952 0.66 KDM4E (0.58) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL29494605 0.66 CYP2A6 (1.00) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL2473555 0.66 CYP2A6 (1.00) ALDH1A1KDM4ECYP1A2KMT2AMEN1

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-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed