SCHEMBL29238385

SCHEMBL29238385

Cc1ccccc1/C(=C/C(=O)O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 5/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
TYK2 P29597 1/20 0.47
FFAR1 O14842 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL25112377 0.82 HPGD (0.53) HPGDSMN1; SMN2KCNK3KCNK9FFAR1
SCHEMBL14482458 0.77 EPHX1 (0.50) HPGDSMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL14482453 0.77 EPHX1 (0.50) HPGDSMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL21993 0.77 HPGD (1.00) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL20005592 0.77 HPGD (0.53) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL18927701 0.75 HPGD (0.51) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL28620430 0.74 HPGD (0.58) HPGDSMN1; SMN2KCNK3KCNK9TYK2
Iodomethane SCHEMBL20530190 0.74 HPGD (0.93) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL17755159 0.73 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1HSD17B10ERCC5
SCHEMBL29085634 0.73 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1HSD17B10ERCC5

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-118201896-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2024-06-14 CN disclosed