SCHEMBL22909902

SCHEMBL22909902

C=C/N=C(/NC)SN(C)Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PYCR1 P32322 1/20 0.34
▸ BCL2A1 Q16548 5/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LSS P48449 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL22909931 0.86 IDO1 (0.39) IDO1ALDH1A1HTTRAB9APYCR1
SCHEMBL23264239 0.71 SMN1; SMN2 (0.44) ALDH1A1HTTRAB9AMAPTSMN1; SMN2
SCHEMBL14017842 0.64 ALDH1A1 (0.41) ALDH1A1HTTRAB9APYCR1BCL2A1
SCHEMBL20432353 0.63 RAB9A (0.50) ALDH1A1HTTRAB9APYCR1MAPT
SCHEMBL7666503 0.62 SMN1; SMN2 (0.58) ALDH1A1HTTRAB9APYCR1MAPT
SCHEMBL11300012 0.62 RAB9A (0.62) ALDH1A1HTTRAB9APYCR1MAPT
SCHEMBL4573297 0.61 PYCR1 (0.52) IDO1ALDH1A1HTTRAB9APYCR1
SCHEMBL197287 0.60 HRH3 (0.64) IDO1ALDH1A1HTTRAB9APYCR1
SCHEMBL18532755 0.60 PYCR1 (0.67) IDO1ALDH1A1HTTRAB9APYCR1
SCHEMBL25969225 0.60 ALDH1A1 (0.50) ALDH1A1HTTRAB9APYCR1BCL2A1

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
WO-2021009504-A1 NEW FORMULATIONS BALTICGRUPPEN BIO AB (SE) 2021-01-21 — — WO disclosed
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