SCHEMBL9110035

SCHEMBL9110035

O=C(NNCCc1ccccc1)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.71
▸ RAB9A P51151 5/20 0.71
▸ NPC1 O15118 3/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ HPGD P15428 1/20 0.66
▸ HDAC3 O15379 1/20 0.66
▸ ALOX12 P18054 1/20 0.62
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CCR6 P51684 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP2C9 P11712 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
SCHEMBL31530565 0.83 RAB9A (1.00) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD
SCHEMBL9107032 0.80 HDAC3 (0.65) RAB9ANPC1L3MBTL1HDAC3ALOX12
SCHEMBL27345911 0.79 HDAC3 (1.00) SMN1; SMN2RAB9ANPC1HDAC3KMT2A
SCHEMBL27996731 0.79 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD
SCHEMBL27804343 0.79 CA12 (0.55) SMN1; SMN2RAB9ANPC1L3MBTL1HDAC3
SCHEMBL4254670 0.78 HDAC3 (0.91) SMN1; SMN2RAB9ANPC1HDAC3KMT2A
SCHEMBL28607364 0.75 RAB9A (0.69) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD
SCHEMBL8652161 0.74 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD
SCHEMBL425836 0.74 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1HPGDHDAC3
SCHEMBL6771010 0.73 HPGD (0.65) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD

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
EP-0631571-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. DU PONT (US) 1995-01-04 — — EP disclosed
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