SCHEMBL11603668

SCHEMBL11603668

O=c1[nH]c(Oc2ccccc2)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.48
▸ DAO P14920 1/20 0.38
▸ LTA4H P09960 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ HAO1 Q9UJM8 1/20 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
SCHEMBL11602358 0.78 KDM4C (0.52) KDM4CHCAR2TSHR
SCHEMBL7708458 0.74 RECQL (0.51) KDM4CLTA4HBRD4
SCHEMBL2235642 0.70 KDM4C (0.44) KDM4CLTA4HTSHRGPR84
SCHEMBL5206240 0.67 NOS1 (0.45) KDM4CLTA4HBRD4
SCHEMBL11603664 0.67 KDM4C (0.38) KDM4CLTA4HBRD4TSHR
SCHEMBL17959988 0.62 LTA4H (0.51) KDM4CLTA4HBRD4TSHR
SCHEMBL3061823 0.62 GAA (0.50) DAOLTA4HBRD4TSHR
SCHEMBL31118175 0.62 KDM4E (0.40) DAOTSHR
SCHEMBL702582 0.61 PARP10 (0.58) LTA4HTSHR
Ammonia Solution, Strong SCHEMBL4266595 0.60 PARP10 (0.56) LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4092313-A FROM 2,4-DICHLORO-5-FLUOROPYRIMIDINE AND AN ALCOHOLATE OR A PHENOLATE TO PRODUCE 2,4-DISUBSTITUTED DERIVATIVE, HYDROLYSIS TAISHO PHARMACEUTICAL COMPANY LIMITED (JA) 1978-05-30 — — US disclosed
US-4080455-A ANTITUMOR TAISHO PHARMACEUTICAL COMPANY LIMITED (JA) 1978-03-21 — — US disclosed
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