SCHEMBL17460736

SCHEMBL17460736

Cc1ccccc1CN1CCN(C(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
CYP2A13 Q16696 1/20 0.60
LMNA P02545 3/20 0.58
ACHE P22303 1/20 0.58
MEN1 O00255 6/20 0.56
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL16227069 0.82 KMT2A (0.61) KMT2ACYP2A13LMNAACHEMEN1
SCHEMBL12856255 0.82 KMT2A (0.76) KMT2ACYP2A13LMNAACHEMEN1
SCHEMBL14983599 0.81 ALDH1A1 (0.62) KMT2ACYP2A13LMNAMEN1KDM4E
SCHEMBL18704976 0.81 SIGMAR1 (0.65) KMT2ACYP2A13MEN1KDM4EALDH1A1
SCHEMBL18704987 0.81 KDM4E (0.48) KMT2AACHEMEN1KDM4EALDH1A1
SCHEMBL24403536 0.80 KMT2A (1.00) KMT2ACYP2A13LMNAACHEMEN1
SCHEMBL11891934 0.80 KMT2A (0.73) KMT2ACYP2A13LMNAACHEMEN1
SCHEMBL29953538 0.80 MPO (0.47) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL329437 0.80 KMT2A (0.72) KMT2ACYP2A13LMNAACHEMEN1
SCHEMBL18704979 0.79 MEN1 (0.57) KMT2AMEN1KDM4EALDH1A1HTT

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-9243040-B2 Stable helical ionic polypeptides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-01-26 US disclosed