SCHEMBL7322968

SCHEMBL7322968

CCCCOc1ccc(C(=O)NNC(N)=S)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 2/20 0.67
KMT2A Q03164 2/20 0.67
HSP90AA1 P07900 1/20 0.67
GAA P10253 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
AGTR1 P30556 1/20 0.60
CYP2C19 P33261 1/20 0.60
OPRK1 P41145 1/20 0.60
UBE2N P61088 1/20 0.60
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
PLK1 P53350 2/20 0.55
MMP1 P03956 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
STAT3 P40763 1/20 0.53
CRHBP P24387 1/20 0.53

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
SCHEMBL6538442 0.97 HTT (0.64) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL11609121 0.84 TP53 (0.71) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL6539268 0.84 PLK1 (0.56) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL6539337 0.82 MAPT (0.70) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL7324900 0.81 SMPD1 (0.67) HTTLMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL10762321 0.81 PLK1 (0.65) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL27628452 0.81 PLK1 (0.58) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL28587470 0.80 TP53 (0.64) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL7326864 0.80 CRHBP (0.69) HTTLMNAMAPTKMT2AGAA
SCHEMBL17825522 0.79 TP53 (0.68) HTTLMNAMAPTKMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed