SCHEMBL6604009

SCHEMBL6604009

COc1cc(O)c(Br)c(OC(=S)N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CYP2C19 P33261 2/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL3611178 0.76 ALDH1A1 (0.42) CYP3A4SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL386837 0.74 ALDH1A1 (0.48) CYP3A4MAPK1ALDH1A1HPGDHSD17B10
SCHEMBL9444245 0.71 KMT2A (0.57) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL28008796 0.69 CYP3A4 (0.56) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL9492563 0.68 MAPT (0.45) CYP3A4MAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL836038 0.68 ALDH1A1 (0.47) MAPK1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL4802368 0.68 ALDH1A1 (0.63) ERN1ALDH1A1HPGDMEN1MAPT
SCHEMBL3644181 0.67 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL10375926 0.67 KDM4E (0.53) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL3483216 0.67 L3MBTL1 (0.48) ALDH1A1HPGDHSD17B10LMNAHTT

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
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
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-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed