SCHEMBL29433451

SCHEMBL29433451

CCCCCc1cccc(NC(=O)C2C(=O)N(c3ccccc3)N=C2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 9/20 0.62
ABCB1 P08183 1/20 0.51
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 3/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL21294440 1.00 ACSS2 (0.62) ACSS2ABCB1HTTLMNAPKM
SCHEMBL29433426 0.97 ACSS2 (0.63) ACSS2ABCB1HTTLMNAPKM
SCHEMBL28694064 0.97 ACSS2 (0.63) ACSS2ABCB1HTTLMNAPKM
SCHEMBL29433343 0.93 ACSS2 (0.65) ACSS2ABCB1HTTLMNAPKM
SCHEMBL21294571 0.93 ACSS2 (0.65) ACSS2ABCB1HTTLMNAPKM
SCHEMBL21294476 0.89 ACSS2 (0.67) ACSS2ABCB1HTTLMNAPKM
SCHEMBL21294572 0.86 ACSS2 (0.67) ACSS2ABCB1HTTLMNAPKM
SCHEMBL21294432 0.85 ACSS2 (0.66) ACSS2ABCB1HTTLMNAPKM
SCHEMBL21294561 0.85 ACSS2 (0.71) ACSS2ABCB1HTTLMNAPKM
SCHEMBL29433300 0.85 ACSS2 (0.71) ACSS2ABCB1HTTLMNAPKM

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-111566092-B ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2025-02-25 CN disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed