SCHEMBL7670557

SCHEMBL7670557

COC(=O)c1cc(C=S)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ HPGD P15428 4/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALOX12 P18054 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MPL P40238 1/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL1072127 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL1518494 0.79 KDM4E (0.47) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL1518492 0.79 KDM4E (0.47) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL5364915 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL15936293 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL5315678 0.78 KDM4E (0.58) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL1539120 0.77 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL10120354 0.76 KDM4E (0.56) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL2152502 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL14499346 0.76 KDM4E (0.56) ALDH1A1KDM4EHPGDNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 — — US disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 — — EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 — — WO disclosed
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