SCHEMBL17845290

SCHEMBL17845290

c1ccc2c(c1)cnn2CC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.44
CRHR1 P34998 1/20 0.43
KMO O15229 1/20 0.43
CHRM2 P08172 6/20 0.43
CHRM1 P11229 6/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA2A P08913 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 2/20 0.41
PDE10A Q9Y233 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 1/20 0.40
BRD4 O60885 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL31429403 0.91 RECQL (0.45) RECQLCYP1A2CRHR1KMOCHRM2
SCHEMBL5946285 0.89 RECQL (0.54) RECQLCYP1A2CRHR1KMOCHRM2
SCHEMBL31429406 0.86 RECQL (0.51) RECQLCYP1A2CRHR1KMOCHRM2
SCHEMBL31429286 0.82 ADRA2A (0.48) RECQLCYP1A2CRHR1KMOCHRM2
SCHEMBL19655466 0.80 CHRM2 (0.47) KMOCHRM2CHRM1CHRM3CNR2
SCHEMBL31251090 0.80 HDAC2 (0.44) CNR2PIK3CDBRD4CNR1
SCHEMBL31513256 0.80 RECQL (0.40) RECQLCYP1A2KMOCHRM2CHRM1
SCHEMBL9941718 0.77 DDB1 (0.40) CNR2PIK3CDCNR1
SCHEMBL29353804 0.77 CRHR1 (0.42) RECQLCYP1A2CRHR1KMOCHRM2
SCHEMBL29353859 0.77 CRHR1 (0.42) RECQLCYP1A2CRHR1KMOCHRM2

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
EP-3233836-B1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RES & DEV (FR) 2019-01-30 EP disclosed
EP-3233836-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) Galderma Research & Development (FR) 2017-10-25 EP disclosed
WO-2016097391-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO disclosed