SCHEMBL8725571

SCHEMBL8725571

Nc1n[nH]c(-c2ccccc2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP1A2 P05177 2/20 0.60
ALPL P05186 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
NR1H2 P55055 1/20 0.60
NR1H3 Q13133 1/20 0.60
ALDH1A1 P00352 5/20 0.58
GAA P10253 1/20 0.58
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
APOBEC3G Q9HC16 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
SCHEMBL8725699 0.81 ALDH1A1 (0.51) DCUN1D1NPC1RAB9ACYP1A2ALPL
SCHEMBL10944351 0.79 NR1H2 (0.77) DCUN1D1NPC1RAB9ACYP1A2ALPL
SCHEMBL1399839 0.76 ALDH1A1 (0.57) CYP1A2ALPLCYP3A4HPGDCYP2C19
SCHEMBL31305459 0.76 ALDH1A1 (0.57) CYP1A2ALPLCYP3A4HPGDCYP2C19
SCHEMBL2847578 0.72 KDM4E (1.00) DCUN1D1NPC1RAB9ACYP1A2ALPL
Water SCHEMBL11347314 0.71 ALDH1A1 (0.51) NPC1RAB9ACYP1A2ALPLSMN1; SMN2
SCHEMBL15657194 0.70 NR1H2 (0.55) DCUN1D1NPC1RAB9ACYP1A2ALPL
SCHEMBL28580098 0.70 HSD17B10 (0.58) DCUN1D1NPC1RAB9ACYP1A2ALPL
SCHEMBL5959950 0.70 SMN1; SMN2 (0.69) DCUN1D1NPC1RAB9ACYP1A2ALPL
SCHEMBL18284726 0.70 ALDH1A1 (0.66) DCUN1D1CYP1A2ALPLALDH1A1GAA

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