SCHEMBL6966485

SCHEMBL6966485

[CH2]NCCc1ccc(OC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ MAPT P10636 1/20 0.63
▸ KMT2A Q03164 1/20 0.61
▸ CA2 P00918 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA1 P00915 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA5A P35218 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP19A1 P11511 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL9813061 0.89 ATM (0.62) ATMPOLBMAPTKMT2ACA2
SCHEMBL7435099 0.85 ATM (0.76) ATMPOLBMAPTKMT2ACA2
SCHEMBL8635081 0.83 ATM (1.00) ATMPOLBMAPTKMT2ACA2
Hydrochloric Acid SCHEMBL11808765 0.83 ATM (0.73) ATMPOLBMAPTKMT2ACA2
SCHEMBL30230461 0.83 ATM (1.00) ATMPOLBMAPTKMT2ACA2
SCHEMBL557799 0.83 ATM (1.00) ATMPOLBMAPTKMT2ACA2
SCHEMBL16641094 0.82 CYP19A1 (0.77) ATMPOLBMAPTKMT2ACA2
SCHEMBL31157848 0.82 CYP19A1 (0.77) ATMPOLBMAPTKMT2ACA2
SCHEMBL19026923 0.81 ATM (0.71) ATMPOLBMAPTKMT2ACA2
Hydrochloric Acid SCHEMBL3657276 0.81 ATM (0.96) ATMPOLBMAPTKMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed
US-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 — — US disclosed
EP-0217142-A2 A polyazaheterocyclic compound Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-08 — — EP disclosed
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