SCHEMBL8354632

SCHEMBL8354632

COc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.85
▸ LMNA P02545 2/20 0.85
▸ USP2 O75604 1/20 0.85
▸ TSHR P16473 1/20 0.85
▸ ALDH1A1 P00352 3/20 0.70
▸ POLB P06746 1/20 0.70
▸ KDM4E B2RXH2 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ HBB P68871 1/20 0.59
▸ WNT3A P56704 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ SLC27A1 Q6PCB7 1/20 0.58

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
Hydrochloric Acid SCHEMBL8358101 0.99 SMN1; SMN2 (0.84) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8353613 0.90 ALDH1A1 (0.74) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8354234 0.87 ALDH1A1 (0.76) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8612272 0.86 LMNA (0.75) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8357081 0.86 SMN1; SMN2 (0.75) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8356375 0.85 ALDH1A1 (0.75) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8353473 0.85 ALDH1A1 (0.72) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8353817 0.84 ALDH1A1 (0.70) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8351312 0.83 ALDH1A1 (0.76) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL8353119 0.83 ALDH1A1 (0.74) SMN1; SMN2LMNAUSP2TSHRALDH1A1

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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