SCHEMBL16200060

SCHEMBL16200060

Cc1c(Cl)c(-c2ccccc2)nn1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
RECQL P46063 2/20 0.50
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SLC34A1 Q06495 3/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44

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
SCHEMBL14996558 0.85 ALDH1A1 (0.52) THRBNPSR1TDP1MAPTLMNA
SCHEMBL14996629 0.85 NR1H2 (0.44) THRBRECQLNPSR1MAPTLMNA
SCHEMBL16200055 0.83 MAPK14 (0.43) THRBNPSR1MAPTLMNASMN1; SMN2
SCHEMBL13736647 0.82 RECQL (0.51) RECQLNPSR1TDP1MAPTLMNA
SCHEMBL14996607 0.81 TSHR (0.42) THRBNPSR1TDP1MAPTLMNA
SCHEMBL16200063 0.81 ALDH1A1 (0.48) THRBHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL14996608 0.80 MAPT (0.47) THRBRECQLNPSR1TDP1MAPT
SCHEMBL13858455 0.79 MAPT (0.51) RECQLNPSR1TDP1MAPTLMNA
SCHEMBL26617161 0.79 RECQL (0.49) RECQLNPSR1TDP1MAPTLMNA
SCHEMBL13738541 0.79 TDP1 (0.51) THRBRECQLNPSR1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed