SCHEMBL31389508

SCHEMBL31389508

COC(=O)c1cc2n(n1)CCCCC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
LDHA P00338 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL22275219 0.98 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL15273696 0.94 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL6379433 0.84 NPC1 (0.44) ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL2928372 0.82 NPC1 (0.43) ALDH1A1CYP1A2KMT2AHTR2AHTR2C
SCHEMBL28517075 0.81 HTR2A (0.44) HTR2AHTR2CLDHA
SCHEMBL18377472 0.80 POLB (0.46) HTR2AHTR2CLDHA
SCHEMBL30793821 0.78 PLAT (0.39) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL16794173 0.78 HTR2A (0.44) HTR2AHTR2CLDHA
SCHEMBL31739849 0.77 HDAC6 (0.44) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL25485602 0.77 HTR2A (0.44) HTR2AHTR2CLDHA

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed