SCHEMBL25003073

SCHEMBL25003073

N=C1SCCN1c1cccc(F)c1O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.32
NOTUM Q6P988 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALB P02768 1/20 0.32
ERN1 O75460 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25003074 0.83 MEN1 (0.47) INMTNOTUMMEN1KMT2ACYP1A2
SCHEMBL25002137 0.78 INMT (0.32) INMT
SCHEMBL25001894 0.77 GAA (0.38) INMTNOTUMMEN1KMT2ACYP1A2
SCHEMBL25003072 0.72 CA3 (0.36) INMTNOTUMARALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10804198 0.70 KEAP1 (0.43) INMTNOTUMMEN1KMT2AALDH1A1
SCHEMBL25001900 0.70 ADRB1 (0.42) INMTNOTUMCYP1A2CYP2C9CYP2C19
SCHEMBL4960473 0.70 CYP1A2 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL25001888 0.68 LMNA (0.40) INMTNOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL25002906 0.68 MEN1 (0.45) INMTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL25002603 0.67 ALDH1A1 (0.46) MEN1KMT2ACYP2C19ALDH1A1MAPK1

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-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed