SCHEMBL11856059

SCHEMBL11856059

CCCCc1oc2ccccc2c1C(=O)c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 3/20 0.75
▸ PTPN1 P18031 1/20 0.75
▸ TTR P02766 1/20 0.65
▸ CYP2C9 P11712 1/20 0.64
▸ KDM5A P29375 2/20 0.60
▸ NR1H4 Q96RI1 1/20 0.60
▸ KDM7A Q6ZMT4 1/20 0.60
▸ SIRT3 Q9NTG7 9/20 0.59
▸ THRA P10827 2/20 0.57
▸ THRB P10828 2/20 0.57
▸ KDM4A O75164 1/20 0.56
▸ ING2 Q9H160 1/20 0.56
▸ SLC22A12 Q96S37 1/20 0.55

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
SCHEMBL11843283 0.92 CYP2C9 (0.67) EYA3PTPN1TTRCYP2C9KDM5A
SCHEMBL25389924 0.89 EYA3 (0.82) EYA3PTPN1TTRKDM5ANR1H4
SCHEMBL27992957 0.88 EYA3 (0.80) EYA3PTPN1TTRKDM5ANR1H4
SCHEMBL11850267 0.87 CYP2C9 (0.82) EYA3PTPN1TTRCYP2C9NR1H4
SCHEMBL1287970 0.86 EYA3 (1.00) EYA3PTPN1TTRCYP2C9KDM5A
SCHEMBL28849127 0.86 EYA3 (0.81) EYA3PTPN1TTRKDM5ANR1H4
SCHEMBL31314614 0.85 EYA3 (0.79) EYA3PTPN1TTRKDM5ANR1H4
SCHEMBL3863077 0.85 EYA3 (0.79) EYA3PTPN1TTRKDM5ANR1H4
SCHEMBL31314615 0.85 EYA3 (0.79) EYA3PTPN1TTRKDM5ANR1H4
SCHEMBL31314577 0.85 EYA3 (0.79) EYA3PTPN1TTRKDM5ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000281-A VIRICIDES RICHARDSON-MERRELL INC. (US) 1976-12-28 — — US disclosed
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