SCHEMBL31066543

SCHEMBL31066543

COC(=O)c1cc2n(n1)CCC(OC)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ CDK9 P50750 2/20 0.34

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
SCHEMBL15273696 0.75 ALDH1A1 (0.41) ALDH1A1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL22275219 0.74 ALDH1A1 (0.43) ALDH1A1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL21570102 0.73 KDM4E (0.39) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL22275421 0.72 ALDH1A1 (0.39) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL31389508 0.72 ALDH1A1 (0.42) ALDH1A1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL26089064 0.72 HDAC6 (0.44) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19
SCHEMBL26093107 0.71 PLAT (0.41) ALDH1A1KDM4EHPGDKMT2ACYP1A2
SCHEMBL31389863 0.71 ATM (0.43) ALDH1A1MAPTKMT2ACYP1A2MEN1
SCHEMBL6383954 0.71 USP2 (0.43) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL31066473 0.70 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDKMT2ACYP1A2

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
WO-2024182447-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 — — WO disclosed
Send feedback