SCHEMBL30470488

SCHEMBL30470488

CN1C[C@H]2CC(c3nc4ccccc4s3)C[C@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
GRM2 Q14416 1/20 0.47
UBE2M P61081 7/20 0.45
DCUN1D1 Q96GG9 7/20 0.45
GAA P10253 1/20 0.45
ACLY P53396 1/20 0.44
LMNA P02545 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22004378 0.88 KMT2A (0.58) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL25955540 0.81 DYRK1A (0.39) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL30470420 0.81 DYRK1A (0.39) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL29081218 0.79 KMT2A (0.56) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL32689291 0.79 MEN1 (0.48) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL13202810 0.79 KMT2A (0.63) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL17058991 0.78 KMT2A (0.58) MEN1KMT2ATP53ALDH1A1DRD2
Formaldehyde SCHEMBL25335277 0.78 DYRK1A (0.40) TP53ALDH1A1UBE2MDCUN1D1ACLY
SCHEMBL30470468 0.78 NPC1 (0.36) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL24365075 0.78 NPC1 (0.36) MEN1KMT2ATP53ALDH1A1DRD2

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
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP disclosed