SCHEMBL21032707

SCHEMBL21032707

CCn1c(C)c(-c2csc3cc(-c4ccncc4)ccc23)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
METAP2 P50579 6/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21031949 0.87 PTGDR2 (0.52) PTGDR2
SCHEMBL21032706 0.86 PTGDR2 (0.36) METAP2PTGDR2KDM4EMAPTMAPK1
SCHEMBL21032545 0.78 MAPT (0.39) PTGDR2KDM4EMAPTMAPK1L3MBTL1
SCHEMBL24179971 0.77 METAP2 (0.39) METAP2PTGDR2
SCHEMBL21032556 0.76 PTGDR2 (0.53) PTGDR2
SCHEMBL21032411 0.76 HTR6 (0.46) PTGDR2KDM4EMAPTMAPK1L3MBTL1
SCHEMBL21032881 0.74 PTGDR2 (0.45) METAP2PTGDR2KMT2AALDH1A1
SCHEMBL24180030 0.74 PTGDR2 (0.50) PTGDR2
SCHEMBL21032554 0.73 PTGDR2 (0.49) PTGDR2
SCHEMBL21032472 0.72 PTGDR2 (0.48) PTGDR2MAPT

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-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed