SCHEMBL22360378

SCHEMBL22360378

Cc1ccccc1-c1nnc(CON=C(C#N)C#N)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 9/20 0.52
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
HPGD P15428 5/20 0.51
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
EGFR P00533 2/20 0.43
ERBB2 P04626 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL22360483 0.85 ANO1 (0.51) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL22360372 0.85 ANO1 (0.47) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL22360370 0.85 SMN1; SMN2 (0.57) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL22360420 0.82 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL22360379 0.80 POLB (0.49) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL22360385 0.78 SMN1; SMN2 (0.45) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL22360382 0.78 TP53 (0.52) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL22360490 0.76 NPC1 (0.42) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL22360484 0.76 L3MBTL1 (0.34) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL22360381 0.74 NPC1 (0.40) RAB9ANPC1SMN1; SMN2HPGDTSHR

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-2020164403-A1 1,1-DICYANO-OXIME-ETHER COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2020-08-20 WO disclosed