SCHEMBL7495269

SCHEMBL7495269

CCOC(=O)c1c(CN(CC)CC)nc2sc(C)c(C)c2c1-c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.46
▸ PRKCZ Q05513 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.41
▸ SIRT1 Q96EB6 2/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 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
SCHEMBL7494845 0.89 PRKCI (0.48) PRKCIPRKCZHSD17B10KDM4ETP53
SCHEMBL7490054 0.87 PRKCI (0.45) PRKCIPRKCZHSD17B10KDM4ETP53
SCHEMBL7488126 0.84 PRKCI (0.42) PRKCIPRKCZHSD17B10KDM4ETP53
SCHEMBL7485921 0.83 SLC10A2 (0.48) KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL7494813 0.83 MAPT (0.44) PRKCZKDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL7485972 0.82 MAPT (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7484725 0.74 ABCC1 (0.40) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL7490046 0.73 ALDH1A1 (0.35) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL3384951 0.73 PRKCZ (0.66) PRKCIPRKCZHSD17B10KDM4ETP53
SCHEMBL7495290 0.73 CYP2C9 (0.41) PRKCZKDM4ETP53SMN1; SMN2ALDH1A1

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
EP-0791000-B1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 — — EP disclosed
US-5747486-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES (JP) 1998-05-05 — — US disclosed
EP-0791000-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1997-08-27 — — EP disclosed
WO-1996014319-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-17 — — WO disclosed
Send feedback