SCHEMBL7781783

SCHEMBL7781783

CCc1nc2c(C(O)CO)cccc2cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 2/20 0.31
CCR1 P32246 1/20 0.30
CCR8 P51685 1/20 0.30
TSHR P16473 1/20 0.30
PARP1 P09874 1/20 0.30
ADORA2A P29274 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 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
SCHEMBL7877946 1.00 KMT2A (0.33) KMT2AMEN1KDM4EMAPK1L3MBTL1
SCHEMBL7781780 1.00 KMT2A (0.33) KMT2AMEN1KDM4EMAPK1L3MBTL1
SCHEMBL7997533 0.84 CYP1A2 (0.41) KMT2AMEN1KDM4ECYP2D6
SCHEMBL7997535 0.84 CYP1A2 (0.41) KMT2AMEN1KDM4ECYP2D6
SCHEMBL7869337 0.81 MEN1 (0.31) KMT2AMEN1
Hydrochloric Acid SCHEMBL7869367 0.80 MEN1 (0.30) KMT2AMEN1
SCHEMBL7869342 0.79 GPR4 (0.33) CYP2D6ATM
SCHEMBL7869348 0.79 GPR4 (0.33) CYP2D6ATM
SCHEMBL7211975 0.78 PDE10A (0.48) KMT2AMEN1KDM4EMAPK1ATM
SCHEMBL7211972 0.78 PDE10A (0.48) KMT2AMEN1KDM4EMAPK1ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331549-B1 TREATMENT OF URINARY STRESS INCONTINENCE, VENOUS INSUFFICIENCY, VENOUS ULCERS, MIGRAINE OR GASTROINTESTINAL DISORDERS SANOFI-SYNTHELABO (FR) 2001-12-18 US disclosed
EP-1131293-A1 1-AMINOETHYLQUINOLINE DERIVATIVES FOR TREATING URINARY INCONTINENCE SANOFI-SYNTHELABO (FR) 2001-09-12 EP disclosed
WO-2000029379-A1 1-AMINOETHYLQUINOLINE DERIVATIVES FOR TREATING URINARY INCONTINENCE SANOFI-SYNTHELABO (FR) 2000-05-25 WO disclosed