SCHEMBL9507669

SCHEMBL9507669

c1ccc(Cc2ccc3c(c2)Sc2ccc(Cc4ccccc4)cc2S3)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.52
IDH1 O75874 1/20 0.50
HNF4A P41235 1/20 0.43
LTA4H P09960 3/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
LMNA P02545 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MPO P05164 1/20 0.39
SLC22A2 O15244 1/20 0.38
PARP11 Q9NR21 1/20 0.37

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
SCHEMBL29411832 1.00 CALM1 (0.52) CALM1IDH1HNF4ALTA4HPRSS1
SCHEMBL27690772 0.98 CALM1 (0.50) CALM1IDH1HNF4ALTA4HPRSS1
SCHEMBL9511279 0.85 MAOB (0.39) CALM1IDH1LMNA
SCHEMBL28992250 0.80 NOX1 (0.47) CALM1IDH1HNF4ALTA4HLMNA
Diphenylmethane SCHEMBL544612 0.75 CALM1 (0.92) CALM1IDH1LTA4HPLA2G10PLA2G2A
SCHEMBL8094422 0.75 CALM1 (0.92) CALM1IDH1LTA4HPLA2G10PLA2G2A
SCHEMBL972712 0.75 CALM1 (0.92) CALM1IDH1LTA4HPLA2G10PLA2G2A
SCHEMBL22001569 0.74 CYP1A2 (0.48) LMNA
SCHEMBL28067845 0.74 BCHE (0.36)
SCHEMBL13971231 0.73 CALM1 (0.75) CALM1IDH1HNF4ALTA4HPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181374-B Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2023-02-28 CN claimed
CN-114181374-A Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2022-03-15 CN claimed
CN-114181374-B Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2023-02-28 CN disclosed
CN-114181374-A Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2022-03-15 CN disclosed
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed