SCHEMBL31465345

SCHEMBL31465345

Cc1cnnc(N=C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ESR2 Q92731 4/20 0.36
ESR1 P03372 3/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
GAA P10253 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL9950334 0.81 GFER (0.36) SMN1; SMN2ESR2ESR1KMT2AMAPT
SCHEMBL30281198 0.81 GFER (0.36) SMN1; SMN2ESR2ESR1KMT2AMAPT
SCHEMBL14842706 0.73 ATP4A (0.44) ALDH1A1SMN1; SMN2HTTLMNAESR2
SCHEMBL22127662 0.73 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTLMNAESR2
SCHEMBL9957060 0.73 TBXA2R (0.40) ALDH1A1SMN1; SMN2HTTLMNAESR2
SCHEMBL9949570 0.72 GABRG2 (0.68) RAB9AGABRG2GABRB3GABRA5GABRA3
SCHEMBL16217689 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HTTLMNAESR2
SCHEMBL5604475 0.68 ESR2 (0.53) ALDH1A1SMN1; SMN2HTTLMNAESR2
SCHEMBL2304799 0.68 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HTTLMNAESR2
SCHEMBL10910459 0.66 ESR2 (0.68) ALDH1A1LMNAESR2ESR1KMT2A

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-2025068090-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2025-04-03 WO disclosed