SCHEMBL8577101

SCHEMBL8577101

N=C(N)NC(=N)NC(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL3715660 0.91 CA2 (0.53) CA2ALDH1A1RAB9ASCN5ASCN2A
SCHEMBL3040275 0.80 RAB9A (0.59) CA2ALDH1A1RAB9ASCN5ASCN2A
SCHEMBL8702006 0.80 CES2 (0.62) CA2ALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL21833012 0.79 SMN1; SMN2 (0.62) ALDH1A1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11611195 0.78 SCN5A (0.43) CA2ALDH1A1RAB9ASCN5ASCN2A
SCHEMBL11400111 0.78 MEN1 (0.50) CA2ALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL29073999 0.77 CA2 (0.53) CA2ALDH1A1RAB9ASCN5ASCN2A
SCHEMBL2464385 0.77 ALDH1A1 (0.56) CA2ALDH1A1RAB9APTPN2PTPN1
SCHEMBL11525034 0.77 ALDH1A1 (0.55) CA2ALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL6989528 0.74 RAB9A (0.61) ALDH1A1RAB9ASMN1; SMN2PKMPTPN2

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
US-5843330-A Anti-icing composition having anti-corrosion and anti-spalling properties CASTLEBAR INDUSTRIES CORP. (US) 1998-12-01 — — US disclosed
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