SCHEMBL30103014

SCHEMBL30103014

Clc1ccc2c(cnn2Cc2ccc(-c3ccccc3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.53
RECQL P46063 1/20 0.49
KMO O15229 1/20 0.47
CYP2C9 P11712 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
SCN9A Q15858 1/20 0.41
MCHR1 Q99705 1/20 0.40
ERBB2 P04626 2/20 0.39
EGFR P00533 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL30103057 0.85 RECQL (0.51) RECQLKMOLMNASMN1; SMN2MAPT
SCHEMBL30103077 0.83 KMO (0.47) GRM2RECQLKMOCYP2C9LMNA
SCHEMBL9917342 0.81 KMO (0.57) RECQLKMOERBB2EGFRHDAC8
SCHEMBL30017917 0.80 GRIN2B (0.47) GRM2CYP2C9
SCHEMBL30017776 0.79 QPCT (0.47) GRM2CYP2C9CYP11B1CYP11B2
SCHEMBL24784526 0.78 GRM2 (0.43) GRM2CYP2C9LMNASMN1; SMN2MEN1
SCHEMBL30017915 0.78 GRM2 (0.43) GRM2CYP2C9LMNASMN1; SMN2MEN1
SCHEMBL24784529 0.74 KMT2A (0.45) GRM2CYP2C9SMN1; SMN2MEN1MAPT
SCHEMBL30103018 0.73 KMO (0.47) RECQLKMOCYP2C9CYP11B1CYP11B2
SCHEMBL1135534 0.72 RECQL (0.77) GRM2RECQLKMOLMNASMN1; SMN2

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