SCHEMBL27342913

SCHEMBL27342913

Cc1nc(NC(=N)NC2CCN(C)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
WHR1 P49842 1/20 0.42
CHEK2 O96017 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.39
SOS2 Q07890 1/20 0.39

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
SCHEMBL27343346 0.91 LMNA (0.47) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27343469 0.89 KMT2A (0.43) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL30735925 0.88 KMT2A (0.42) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27343609 0.88 EPHX1 (0.51) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL27342922 0.88 CHEK2 (0.42) ALDH1A1HPGDLMNASMN1; SMN2WHR1
SCHEMBL30736052 0.88 CHEK2 (0.42) ALDH1A1HPGDLMNASMN1; SMN2WHR1
SCHEMBL27343467 0.86 KMT2A (0.41) KMT2AWHR1CHEK2MAPK1
SCHEMBL30736177 0.86 KDM4E (0.39) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27343474 0.86 KDM4E (0.39) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27344349 0.85 LMNA (0.43) KMT2AALDH1A1HPGDLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed