SCHEMBL17988331

SCHEMBL17988331

C/C(=N\O)c1cc(C)c(C)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALPG P10696 1/20 0.35
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALPL P05186 1/20 0.33
AKR1C3 P42330 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL17988366 0.74 TAS1R3 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10242709 0.73 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL17864639 0.71 KDM4E (0.38) HSD17B10KDM4E
SCHEMBL17988351 0.67 HSD17B10 (0.62) RAB9ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL8808758 0.67 HSD17B10 (0.62) RAB9ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1450299 0.67 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14621407 0.67 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2172078 0.67 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL21654033 0.65 TAS1R3 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL21653975 0.65 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed