SCHEMBL25143003

SCHEMBL25143003

Cc1cnc(NC(=O)c2ccccc2N)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 9/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
HSD17B10 Q99714 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HPGD P15428 5/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 1/20 0.50
FADS1 O60427 2/20 0.48
GLA P06280 1/20 0.47
PTGS1 P23219 1/20 0.46
BLK P51451 1/20 0.45
CFTR P13569 1/20 0.45
P2RX1 P51575 1/20 0.44

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
SCHEMBL6106401 0.84 FADS1 (0.59) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL15882332 0.83 NPC1 (0.60) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL31110119 0.82 NPC1 (0.70) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL4853468 0.82 NPC1 (0.70) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL14314287 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL12276900 0.79 NPC1 (0.51) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL31665640 0.79 KMT2A (0.50) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL25142640 0.79 KMT2A (0.50) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL25142977 0.78 FADS1 (0.55) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL13543517 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAHPGD

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-2023061440-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-04-20 WO disclosed