SCHEMBL14219787

SCHEMBL14219787

CCCCCCOC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.55
▸ USP2 O75604 2/20 0.54
▸ ATM Q13315 2/20 0.54
▸ CFTR P13569 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ GOPC Q9HD26 1/20 0.54
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ FPR2 P25090 4/20 0.39

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
SCHEMBL12949260 0.92 ABCB1 (0.54) ABCB1USP2ATMCFTRPAX8
SCHEMBL13820288 0.90 ABCB1 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL13428258 0.89 USP2 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL14667860 0.89 USP2 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL18350813 0.89 USP2 (0.53) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL29557664 0.88 USP2 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL10040697 0.88 ABCB1 (0.71) ABCB1USP2ATMCFTRPAX8
SCHEMBL18350821 0.87 ABCB1 (0.73) ABCB1USP2ATMCFTRPAX8
SCHEMBL13950401 0.87 ABCB1 (0.73) ABCB1USP2ATMCFTRPAX8
SCHEMBL20600852 0.87 ABCB1 (0.73) ABCB1USP2ATMCFTRPAX8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090266-A1 Method of Selecting a Cardiomyoctye Using Intracellular Mitochondria as an Indicator ASUBIO PHARMA CO.,LTD (JP) 2008-04-17 — — US disclosed
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