SCHEMBL8353613

SCHEMBL8353613

COc1ccc2nc(NC(=O)CN3CCN(c4ncccn4)CC3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ KDM4E B2RXH2 2/20 0.72
▸ TSHR P16473 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ USP2 O75604 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ CASP2 P42575 1/20 0.59
▸ DRD2 P14416 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 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
SCHEMBL8354632 0.90 SMN1; SMN2 (0.85) ALDH1A1POLBKMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL8358101 0.89 SMN1; SMN2 (0.84) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8354234 0.88 ALDH1A1 (0.76) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8356375 0.88 ALDH1A1 (0.75) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8353473 0.85 ALDH1A1 (0.72) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8353119 0.85 ALDH1A1 (0.74) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8350662 0.84 ALDH1A1 (0.70) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8353817 0.84 ALDH1A1 (0.70) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8353601 0.84 ALDH1A1 (0.70) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8351312 0.84 ALDH1A1 (0.76) ALDH1A1POLBKMT2AKDM4ECASP2

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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