SCHEMBL29019285

SCHEMBL29019285

Oc1c2c(nn1-c1ccccn1)CCC1(C2)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.35
HSD17B10 Q99714 10/20 0.35
HPGD P15428 8/20 0.35
TSHR P16473 4/20 0.34
USP2 O75604 3/20 0.34
HIF1A Q16665 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CYP1A2 P05177 2/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL4971846 0.75 GABRA1 (0.44) ALDH1A1HSD17B10HPGDPIK3CDPIK3R2
SCHEMBL15867016 0.75 GABRA1 (0.41) ALDH1A1HSD17B10HPGDPIK3CDPIK3R2
SCHEMBL29871089 0.75 GABRA1 (0.44) ALDH1A1HSD17B10HPGDPIK3CDPIK3R2
Hydrochloric Acid SCHEMBL30337257 0.74 GABRA1 (0.43) ALDH1A1HSD17B10HPGDPIK3CDPIK3R2
SCHEMBL29830882 0.71 OGA (0.35) ALDH1A1HSD17B10HPGDTSHRUSP2
SCHEMBL30337063 0.71 CD274 (0.40) ALDH1A1HSD17B10PIK3CDPIK3R2PIK3CA
SCHEMBL31483731 0.70 GRM7 (0.50) ALDH1A1HSD17B10HPGDSMN1; SMN2CRBN
SCHEMBL20836367 0.70 GRM7 (0.50) ALDH1A1HSD17B10HPGDSMN1; SMN2CRBN
SCHEMBL23648620 0.69 PLD1 (0.41) ALDH1A1HSD17B10HPGDTSHRUSP2
SCHEMBL29870923 0.69 PLD1 (0.41) ALDH1A1HSD17B10HPGDTSHRUSP2

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-119156379-A Novel pyrazole derivatives 阿普塔生物治疗公司 2024-12-17 CN disclosed
CN-115916766-A Novel pyrazole derivatives 阿普塔生物治疗公司 2023-04-04 CN disclosed