SCHEMBL9360426

SCHEMBL9360426

CCC(C(=O)c1cc(-c2ccccc2)no1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SLC6A2 P23975 4/20 0.45
▸ SLC6A3 Q01959 4/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTPN1 P18031 2/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ USP30 Q70CQ3 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27353216 0.99 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ASLC6A2SLC6A3SLC6A4
SCHEMBL8880846 0.82 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
SCHEMBL8781882 0.81 RAB9A (0.47) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL8880546 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL8788681 0.81 RAB9A (0.46) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
SCHEMBL9461390 0.81 RAB9A (0.46) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
SCHEMBL8879120 0.79 RAB9A (0.49) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
SCHEMBL8880003 0.78 CHRM2 (0.48) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL8879845 0.78 RAB9A (0.48) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
SCHEMBL8880381 0.77 RAB9A (0.47) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A

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
JP-6116146-A — — None — — JP disclosed
JP-H06116146-A PHARMACEUTICAL PREPARATION MITSUI TOATSU CHEM INC 1994-04-26 — — JP disclosed
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