SCHEMBL7338253

SCHEMBL7338253

CCCCCCCn1cc(I)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
SMPD1 P17405 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
GBA1 P04062 6/20 0.35

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
SCHEMBL17943855 1.00 KDR (0.40) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL2384675 1.00 KDR (0.40) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL2951930 0.98 L3MBTL1 (0.40) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL177537 0.92 L3MBTL1 (0.41) KDRSMPD1L3MBTL1
SCHEMBL671590 0.84
SCHEMBL16592114 0.81 HRH1 (0.33)
SCHEMBL9625648 0.79 LMNA (0.41) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL6571556 0.79 LMNA (0.41) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL19608592 0.79 LMNA (0.41) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL294214 0.79 LMNA (0.41) KDRSMPD1L3MBTL1PTGS1PTGS2

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
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed