SCHEMBL6328508

SCHEMBL6328508

O=C(CCc1nc(-c2ccc(F)cc2)no1)C(Nc1n[nH]c(=O)c2ccccc12)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ USP2 O75604 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL6334127 0.73 CYP1A2 (0.52) CNR2HPGDALDH1A1SMN1; SMN2CNR1
SCHEMBL6328504 0.73 HCRTR1 (0.46) CNR2HPGDALDH1A1SMN1; SMN2CNR1
SCHEMBL5077241 0.72 GAA (0.50) CNR2HPGDALDH1A1SMN1; SMN2CNR1
SCHEMBL6326412 0.72 TSHR (0.51) CNR2HPGDALDH1A1SMN1; SMN2CNR1
SCHEMBL6326111 0.72 TSHR (0.51) CNR2HPGDALDH1A1SMN1; SMN2CNR1
SCHEMBL6333059 0.70 SMN1; SMN2 (0.47) CNR2HPGDALDH1A1SMN1; SMN2CNR1
SCHEMBL6325850 0.70 HDAC1 (0.51) CNR2HPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL6332518 0.70 HDAC1 (0.51) CNR2HPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL6323086 0.69 HPGD (0.49) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6334365 0.68 HDAC1 (0.48) CNR2HPGDALDH1A1SMN1; SMN2CNR1

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
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