SCHEMBL29442811

SCHEMBL29442811

Cc1ccc(NC(=O)c2ccc(Cc3cccc(F)c3)cn2)nn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.48
RET P07949 1/20 0.44
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NR3C2 P08235 1/20 0.41
GRM5 P41594 3/20 0.40
GPR52 Q9Y2T5 1/20 0.40
WNT3A P56704 1/20 0.39
THRB P10828 1/20 0.39
SCD O00767 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
SCHEMBL21394469 1.00 SNCA (0.48) SNCARETTP53POLBSMN1; SMN2
SCHEMBL29358598 0.93 NPC1 (0.46) SNCARETTP53POLBSMN1; SMN2
SCHEMBL21394754 0.93 NPC1 (0.46) SNCARETTP53POLBSMN1; SMN2
SCHEMBL21394764 0.85 NPC1 (0.50) SNCARETSMN1; SMN2NPC1RAB9A
SCHEMBL21395076 0.82 GRM5 (0.44) NPC1RAB9AGRM5WNT3A
SCHEMBL29442866 0.82 SNCA (0.47) SNCARETTP53SMN1; SMN2NPC1
SCHEMBL21394844 0.82 SNCA (0.47) SNCARETTP53SMN1; SMN2NPC1
SCHEMBL21395171 0.81 NPC1 (0.47) SNCARETTP53SMN1; SMN2NPC1
SCHEMBL21394920 0.80 ALDH1A1 (0.49) SNCANPC1RAB9AALDH1A1
SCHEMBL21384504 0.80 SNCA (0.48) SNCARETSMN1; SMN2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed