SCHEMBL6979141

SCHEMBL6979141

Cc1ccc(C(=S)NC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
KCNMA1 Q12791 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GPR35 Q9HC97 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9542582 0.78 TSHR (0.58) TSHRCYP3A4KCNMA1ALDH1A1LMNA
SCHEMBL29094244 0.77 TSHR (0.49) TSHRCYP3A4KCNMA1ALDH1A1LMNA
SCHEMBL996616 0.76 TSHR (0.56) TSHRCYP3A4KCNMA1ALDH1A1MEN1
SCHEMBL2721649 0.75 TSHR (0.55) TSHRCYP3A4KCNMA1ALDH1A1MEN1
SCHEMBL406111 0.73 TSHR (0.60) TSHRCYP3A4KCNMA1ALDH1A1LMNA
SCHEMBL3112702 0.73 TSHR (0.60) TSHRCYP3A4KCNMA1ALDH1A1POLB
SCHEMBL9816573 0.72 TSHR (0.50) TSHRCYP3A4ALDH1A1KMT2ALMNA
SCHEMBL9542579 0.71 TSHR (0.58) TSHRCYP3A4KCNMA1ALDH1A1POLB
SCHEMBL8494822 0.71 TSHR (0.58) TSHRCYP3A4KCNMA1ALDH1A1POLB
SCHEMBL404538 0.71 TSHR (0.58) TSHRCYP3A4KCNMA1ALDH1A1KMT2A

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 4 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
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed