SCHEMBL7340640

SCHEMBL7340640

O=C(O)c1ccc(-c2nnc(-c3ccc(N4CCCCC4)cc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.54
CSNK2A1 P68400 6/20 0.54
CSNK2B P67870 1/20 0.54
IP6K1 Q92551 1/20 0.51
IP6K3 Q96PC2 1/20 0.51
IP6K2 Q9UHH9 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
STAT1 P42224 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL6134406 0.85 HRH3 (0.53) CSNK2A2CSNK2A1CSNK2BL3MBTL1CHEK1
SCHEMBL6134222 0.85 HRH3 (0.53) CSNK2A2CSNK2A1CSNK2BL3MBTL1CHEK1
SCHEMBL7339724 0.84 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL6135547 0.83 HRH3 (0.52) CSNK2A2CSNK2A1CSNK2BALOX15L3MBTL1
SCHEMBL6373109 0.83 NPC1 (0.58) CSNK2A2CSNK2A1CSNK2BNPC1RAB9A
SCHEMBL27527905 0.83 CSNK2A2 (0.48) CSNK2A2CSNK2A1CSNK2BALDH1A1HPGD
SCHEMBL65682 0.83 ALDH1A1 (0.67) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL13850382 0.83 ALDH1A1 (0.67) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL17737071 0.83 ALDH1A1 (0.67) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL6132526 0.82 CSNK2A2 (0.45) CSNK2A2CSNK2A1CSNK2BALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed