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SCHEMBL6326410

SCHEMBL6326410

O=C(CCNc1n[nH]c(=O)c2ncccc12)NC1CCCC(Nc2n[nH]c(=O)c3cccnc23)C1.O=C(CCc1nc(-c2ccc(O)cc2)no1)NC1CCCC(Nc2n[nH]c(=O)c3cccnc23)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 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
SCHEMBL6328830 0.94 HPGD (0.49) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6323086 0.88 HPGD (0.49) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6333025 0.77 POLB (0.64) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6330590 0.74 TSHR (0.46) HPGDSMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL6333338 0.74 LMNA (0.48) HPGDSMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5076306 0.73 ROCK2 (0.45) ALDH1A1HTT
SCHEMBL6328284 0.73 HPGD (0.52) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6328374 0.71 ROCK2 (0.42) SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL6326482 0.70 HPGD (0.44) HPGDSMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL6324540 0.70 JAK3 (0.48) ALDH1A1

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