SCHEMBL8353727

SCHEMBL8353727

COC(=O)CCc1nnc(NC(=O)CN2CCN(c3ccccn3)CC2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HBB P68871 1/20 0.61
▸ HPGD P15428 2/20 0.59
▸ MAPT P10636 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ SLC27A1 Q6PCB7 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TSHR P16473 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ DRD2 P14416 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ POLB P06746 1/20 0.52

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
SCHEMBL8353646 0.91 MEN1 (0.63) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8350090 0.81 USP2 (0.67) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8356301 0.78 MAPT (0.57) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8358213 0.78 KDM4E (0.74) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8358063 0.75 THRB (0.66) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4010416 0.74 POLB (0.84) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8356307 0.73 MAPT (0.55) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6173210 0.73 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4008925 0.73 THRB (1.00) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8354632 0.73 SMN1; SMN2 (0.85) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO claimed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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