SCHEMBL32679259

SCHEMBL32679259

CC(C)(C)c1ccc(-c2ccccc2S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
S1PR1 P21453 1/20 0.42
KIF11 P52732 3/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4702552 1.00 NPC1 (0.46) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL244778 0.82 KIF11 (0.38) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL28224116 0.82 NPC1 (0.44) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL29165613 0.81 NPC1 (0.51) NPC1RAB9AALDH1A1PLA2G1BNFKB1
Bromide SCHEMBL3132540 0.81 KIF11 (0.37) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL28549073 0.81 KIF11 (0.58) ALDH1A1KIF11TP53TSHR
SCHEMBL4904785 0.80 KIF11 (0.48) NPC1RAB9AALDH1A1PLA2G1BNFKB1
Hydrogen Sulfide SCHEMBL27571146 0.78 KIF11 (0.47) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL11843176 0.77 CYP2C9 (0.43) GPR84KMT2A
SCHEMBL11667207 0.77 TRPA1 (0.46) NPC1RAB9AALDH1A1PLA2G1BNFKB1

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
CN-116655533-B Preparation method of heteroatom modified 9-phenylacridine 湖南初源新材料股份有限公司 2026-02-27 CN claimed