SCHEMBL20180674

SCHEMBL20180674

CC1=NCC(C)Nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.49
CREBBP Q92793 8/20 0.43
BRD4 O60885 7/20 0.43
EP300 Q09472 1/20 0.43
RAB9A P51151 1/20 0.41
NOS2 P35228 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL27441812 0.76 TNKS2 (0.33) CREBBPBRD4EP300NOS2TSHR
SCHEMBL16745966 0.74 CREBBP (0.41) NISCHCREBBPBRD4EP300RAB9A
SCHEMBL6419356 0.69 CREBBP (0.59) CREBBPBRD4EP300RAB9ATSHR
SCHEMBL29660000 0.69 CREBBP (0.59) CREBBPBRD4EP300RAB9ATSHR
SCHEMBL16746009 0.66 BRD4 (0.59) CREBBPBRD4EP300RAB9ANOS2
SCHEMBL29572486 0.66 CREBBP (0.55) CREBBPBRD4EP300RAB9ATSHR
SCHEMBL12837999 0.66 CREBBP (0.55) CREBBPBRD4EP300RAB9ATSHR
SCHEMBL1736809 0.66 CREBBP (0.55) CREBBPBRD4EP300RAB9ATSHR
SCHEMBL1868013 0.66 CREBBP (0.55) CREBBPBRD4EP300RAB9ATSHR
SCHEMBL33268 0.66 CREBBP (0.55) CREBBPBRD4EP300RAB9ATSHR

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
WO-2018093797-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. (US) 2018-05-24 WO disclosed