SCHEMBL31477910

SCHEMBL31477910

Cc1cccc([I+]c2cccc(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.58
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2C P28335 3/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4949117 0.91 ACHE (0.48) ACHEALDH1A1MAPK1HTR2CHTR3E
SCHEMBL30540395 0.85 ACHE (0.42) ACHEALDH1A1MAPK1HTR2CHTR3E
SCHEMBL29466733 0.82 ACHE (0.44) ACHEALDH1A1MAPK1HTR2CTP53
SCHEMBL9608258 0.82 ACHE (0.39) ACHEALDH1A1MAPK1HTR2CTP53
M-Xylene SCHEMBL891494 0.75 ACHE (1.00) ACHEALDH1A1MAPK1HTR3EHTR3B
M-Xylene SCHEMBL6397624 0.75
M-Xylene SCHEMBL28189 0.75
M-Xylene SCHEMBL4596533 0.72 ACHE (0.92) ACHEALDH1A1MAPK1HTR3EHTR3B
M-Xylene SCHEMBL5179379 0.72
M-Xylene SCHEMBL6838834 0.72

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
CN-119798564-A Photopolymer holographic recording medium, grating, preparation method and equipment thereof 珠海莫界科技有限公司 2025-04-11 CN disclosed
WO-2025051659-A1 UV-VIS CURABLE SECURITY INKS COMPRISING TAGS AND SECURITY FEATURES OBTAINED THEREOF SICPA HOLDING SA (CH) 2025-03-13 WO disclosed