SCHEMBL7230918

SCHEMBL7230918

Cc1c(/C=C/C(=O)O)cnn1-c1cc(OCc2ccccc2)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
NUDT1 P36639 1/20 0.43
PTGER4 P35408 9/20 0.42
PTGER2 P43116 9/20 0.42
PTGER3 P43115 9/20 0.42
PTGER1 P34995 5/20 0.42
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
PTGDR Q13258 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7230932 1.00 HRH4 (0.48) HRH4NUDT1PTGER4PTGER2PTGER3
SCHEMBL7236662 0.87 HRH4 (0.49) HRH4NUDT1ALDH1A1LMNASMN1; SMN2
SCHEMBL7236669 0.87 HRH4 (0.49) HRH4NUDT1ALDH1A1LMNASMN1; SMN2
SCHEMBL7231178 0.87 HRH4 (0.53) HRH4NUDT1ALDH1A1PKMNPC1
SCHEMBL7236175 0.80 MAPT (0.52) HRH4NUDT1ALDH1A1LMNANPC1
SCHEMBL27469144 0.79 HRH4 (0.48) HRH4NUDT1ALDH1A1LMNANPC1
SCHEMBL7167083 0.76 HRH4 (0.48) HRH4NUDT1KDM4ELMNAHPGD
SCHEMBL7167081 0.76 HRH4 (0.48) HRH4NUDT1KDM4ELMNAHPGD
SCHEMBL7230951 0.67 CCNC (0.38) NPC1RAB9A
SCHEMBL26660073 0.67 NUDT1 (0.67) HRH4NUDT1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed