SCHEMBL9380239

SCHEMBL9380239

CCOC(=O)CCCn1nc(C(=O)Cl)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.52
CTNNB1 P35222 1/20 0.48
CNR1 P21554 6/20 0.47
ELANE P08246 5/20 0.46
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
CREBBP Q92793 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 3/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9386202 0.89 TNF (0.53) TNFCTNNB1CNR1ELANEF2
SCHEMBL17599134 0.86 TNF (0.49) TNFCTNNB1CNR1ELANEF2
SCHEMBL6944701 0.83 CNR1 (0.59) CNR1KDM4ETSHRHSD17B10CNR2
SCHEMBL9389033 0.83 TNF (0.47) TNFCTNNB1CNR1ELANEF2
SCHEMBL6948881 0.82 CNR2 (0.61) CNR1KDM4ETSHRHSD17B10CNR2
SCHEMBL9380543 0.82 PTGER4 (0.46) TNFCTNNB1CNR1ELANEF2
SCHEMBL6954722 0.81 CNR1 (0.50) CNR1ELANEF2PLAULMNA
SCHEMBL6950019 0.78 CYP1A2 (0.45) CNR1ELANEF2PLAUKDM4E
SCHEMBL6114259 0.76 PARP1 (0.55) CNR1ELANELMNAKDM4ETSHR
SCHEMBL17599132 0.76 CNR1 (0.77) TNFCNR1KDM4ECNR2

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
EP-0620818-A1 ARYL KETONES AS TESTOSTERONE 5$g(a)-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-26 EP disclosed
WO-1993013099-A1 ARYL KETONES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed