SCHEMBL29433465

SCHEMBL29433465

CCc1cccc(NC(=O)C2C(=O)N(c3ccc(N)cc3)N=C2C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 11/20 0.56
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL21294566 1.00 ACSS2 (0.56) ACSS2SMN1; SMN2LMNAPKMHTT
SCHEMBL21294476 0.90 ACSS2 (0.67) ACSS2SMN1; SMN2LMNAPKMHTT
SCHEMBL21294444 0.89 ACSS2 (0.55) ACSS2SMN1; SMN2LMNAPKMHTT
SCHEMBL29433455 0.89 ACSS2 (0.55) ACSS2SMN1; SMN2LMNAPKMHTT
SCHEMBL21294504 0.88 ACSS2 (0.57) ACSS2SMN1; SMN2LMNAPKMHTT
SCHEMBL21294502 0.88 ACSS2 (0.72) ACSS2SMN1; SMN2MAPTTP53
SCHEMBL21294495 0.87 ACSS2 (0.61) ACSS2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29433329 0.87 ACSS2 (0.61) ACSS2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21294525 0.87 ACSS2 (0.63) ACSS2SMN1; SMN2ALDH1A1
SCHEMBL21294521 0.86 ALDH1A1 (0.55) ACSS2SMN1; SMN2LMNAPKMHTT

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