SCHEMBL30103057

SCHEMBL30103057

Clc1ccc2c(cnn2Cc2cnc(-c3ccccc3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
KMO O15229 2/20 0.49
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H3 Q13133 2/20 0.44
NR1H2 P55055 1/20 0.44
CYP11B1 P15538 1/20 0.42
SCN9A Q15858 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
HPGDS O60760 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ERBB2 P04626 4/20 0.41
EGFR P00533 2/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL30103014 0.85 GRM2 (0.53) RECQLKMOLMNASMN1; SMN2CYP11B1
SCHEMBL30018748 0.84 GRIN1 (0.44) KMOADORA3ADORA1GRIN1GRIN2B
SCHEMBL9917342 0.80 KMO (0.57) RECQLKMOGRIN1GRIN2BHDAC8
SCHEMBL30018361 0.79 QPCT (0.47) KMOGRIN1GRIN2BERBB2GAA
SCHEMBL30018366 0.78 GRIN1 (0.41) KMOCYP11B1GRIN1GRIN2BERBB2
SCHEMBL30103077 0.78 KMO (0.47) RECQLKMOLMNASMN1; SMN2CYP11B1
SCHEMBL24785451 0.76 MEN1 (0.43) RECQLLMNASMN1; SMN2NR1H3NR1H2
SCHEMBL30018739 0.76 MEN1 (0.43) RECQLLMNASMN1; SMN2NR1H3NR1H2
SCHEMBL30103018 0.75 KMO (0.47) RECQLKMOCYP11B1SCN9AADORA3
SCHEMBL24785446 0.72 KMT2A (0.40) LMNASMN1; SMN2ERBB2EGFRMAPT

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
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed