SCHEMBL13845733

SCHEMBL13845733

Cn1cccc1C(=O)Nc1cn(C)c(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 3/20 0.50
PKM P14618 2/20 0.50
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL27117420 0.89 HDAC1 (0.44) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL20833658 0.83 NPC1 (0.54) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL13845690 0.82 RPS6KA3 (0.50) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL18292627 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL20833589 0.78 HDAC1 (0.42) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL4418227 0.78 MAP3K5 (0.37) RAB9ANPC1KMT2AMEN1
SCHEMBL27346559 0.77 HDAC1 (0.57) RAB9ANPC1POLBKDM4EHDAC1
SCHEMBL13257094 0.77 HDAC1 (0.36) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL13288059 0.77 KDM4E (0.44) KMT2AKDM4ELMNATSHRHTT
SCHEMBL5332204 0.76 NAMPT (0.49) RAB9ANPC1SMN1; SMN2POLBCSNK1D

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-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed