SCHEMBL6975677

SCHEMBL6975677

CSc1ccc2c(c1)CN(CC1CC1)S(=O)(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
USP30 Q70CQ3 1/20 0.33
HTR7 P34969 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6490844 0.74 KDM4E (0.35) HTR7KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20884940 0.64 HRH3 (0.46) EPHX2KDM4E
SCHEMBL20883622 0.64 HRH3 (0.46) EPHX2KDM4E
SCHEMBL6983136 0.63 HTR2A (0.36) HTR7KDM4ESMN1; SMN2
SCHEMBL16126520 0.60 ATM (0.42) HTR7JAK2JAK1ATM
SCHEMBL11469403 0.58 LMNA (0.47) SMN1; SMN2
SCHEMBL2468499 0.57 AHR (0.56) EPHX2
SCHEMBL26342804 0.57 GAA (0.43) HTR7MEN1KMT2ASMN1; SMN2
SCHEMBL9025693 0.56 MAPT (0.35) SMN1; SMN2
SCHEMBL9023764 0.56 MAPT (0.35) KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed