SCHEMBL11209712

SCHEMBL11209712

c1ccc2c3nncc-3nsc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPAS1 Q99814 9/20 0.40
EPHX2 P34913 1/20 0.33
GPR3 P46089 1/20 0.32
MMP13 P45452 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL28563540 0.75 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL30987223 0.75 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL11174882 0.72 KDM4E (0.47) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL6964514 0.68 KDM4E (0.52) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL3626867 0.67 MAPT (0.42) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL30492174 0.67 CYP2A6 (0.40) KDM4EMAPTALDH1A1GPR3
SCHEMBL5314452 0.67 CYP2A6 (0.40) KDM4EMAPTALDH1A1GPR3
SCHEMBL21956018 0.64 IDO1 (0.54) KDM4EMAPTALDH1A1HSD17B10
SCHEMBL24566449 0.64 MAPT (0.47) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL6777567 0.63 MAPT (0.42) KDM4EMAPTALDH1A1HSD17B10EPAS1

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-4378358-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTIRHEUMATIC AGENTS MEDIOLANUM FARMACEUTICI S.R.L. (IT) 1983-03-29 US disclosed
US-4378358-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTIRHEUMATIC AGENTS MEDIOLANUM FARMACEUTICI S.R.L. (IT) 1983-03-29 US disclosed
EP-0043961-A1 1,2-Benzothiazinopyrazoles having pharmacological activity MEDIOLANUM FARMACEUTICI s.r.l. (IT) 1982-01-20 EP disclosed
EP-0043961-A1 1,2-Benzothiazinopyrazoles having pharmacological activity MEDIOLANUM FARMACEUTICI s.r.l. (IT) 1982-01-20 EP disclosed