SCHEMBL10184791

SCHEMBL10184791

CCN(CCNC(=O)c1ccc(CN2CCOCC2)cc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.58
▸ LMNA P02545 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HIF1A Q16665 1/20 0.51
▸ EPAS1 Q99814 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA9 Q16790 1/20 0.51

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
SCHEMBL10272436 0.82 KMT2A (0.77) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL13267211 0.76 KMT2A (0.60) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL28162774 0.75 KMT2A (0.56) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL7705653 0.75 ALDH1A1 (0.77) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL28162775 0.74 KMT2A (0.58) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL5095146 0.74 KMT2A (0.67) KMT2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL14045111 0.74 KMT2A (0.67) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL3015924 0.74 KMT2A (0.57) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL28162853 0.74 KMT2A (0.67) KMT2AKDM4ELMNAALDH1A1RAB9A
SCHEMBL13947487 0.73 ALDH1A1 (0.79) KMT2AKDM4ELMNAALDH1A1RAB9A

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
EP-2404911-A1 Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives Janssen Pharmaceutica NV (BE) 2012-01-11 — — EP disclosed
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