SCHEMBL21339622

SCHEMBL21339622

COc1ccc2c(c1)NCN=C2C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FYN P06241 1/20 0.40
HTR6 P50406 1/20 0.40
PLAT P00750 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR5A P47898 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
JUND P17535 1/20 0.35
FOSB P53539 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
CASP3 P42574 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
SCHEMBL6716568 0.77 HTR2C (0.47) HTR2CMEN1KMT2AFYNHTR6
SCHEMBL21339719 0.76 NOS2 (0.49) HTR2CMEN1KMT2ASLC6A2SLC6A4
SCHEMBL6748973 0.65 HTR2C (0.63) HTR2CMEN1KMT2AHTR6PLAT
SCHEMBL5584891 0.65 HTR2C (0.59) HTR2CMEN1KMT2AHTR6TDP1
SCHEMBL2707057 0.65 HTR2C (0.63) HTR2CMEN1KMT2AHTR6SLC6A2
SCHEMBL5584716 0.65 HTR2C (0.69) HTR2CMEN1KMT2AHTR6TDP1
SCHEMBL239790 0.65 HTR2C (0.64) HTR2CMEN1KMT2AHTR6TDP1
Hydrochloric Acid SCHEMBL23411498 0.64 HTR2C (0.94) HTR2CFYN
SCHEMBL22324792 0.64 HTR2C (0.58) HTR2CMEN1KMT2AHTR6TDP1
SCHEMBL1529068 0.64 HTR2C (0.58) HTR2CMEN1KMT2AHTR6SLC6A2

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-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 WO disclosed