SCHEMBL7086464

SCHEMBL7086464

c1cc2c3c(c1)OC3CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.50
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
LMNA P02545 3/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAOB P27338 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ESR1 P03372 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
SCHEMBL3267497 0.67 MAP3K14 (0.64) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL3559500 0.67 MAP3K14 (1.00) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL136087 0.67 MAP3K14 (0.46) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL30216657 0.66 MAP3K14 (0.45) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL4729948 0.66 MAP3K14 (0.67) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL10365755 0.66 MAP3K14 (0.45) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL3561436 0.66 MAP3K14 (0.67) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL31300318 0.66 MAP3K14 (0.45) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL1266237 0.66 MAP3K14 (0.45) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL9900378 0.66 MAP3K14 (0.53) MAP3K14ITGB2ICAM1ITGALLMNA

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-1204134-C Sulfamine-substituted benzodihydopyran, preparation method, use as medicine or diagnostic reagent and medicine containing same HOECHST AG (DE) 2005-06-01 CN disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed
CN-1218050-A Sulfonamide-substituted benzopyran derivates processes for their preparation, their use as medicament, and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
CN-1194982-A Sulfonamide-substituted chromans, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them HOECHST AG (DE) 1998-10-07 CN disclosed
CN-1169429-A Sulfamine-substituted benzodihydopyran, preparation method, use as medicine or diagnostic reagent and medicine containing same HOECHST AG (DE) 1998-01-07 CN disclosed