SCHEMBL30735925

SCHEMBL30735925

CN1CCC(NC(=N)Nc2nc(Cl)c3ccccc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
WHR1 P49842 1/20 0.41
CHEK2 O96017 1/20 0.40
RAB9A P51151 1/20 0.38
SOS2 Q07890 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
KDM1A O60341 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
EPHX1 P07099 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL27342913 0.88 KMT2A (0.44) KMT2AWHR1CHEK2SOS2KDM4E
SCHEMBL27343469 0.87 KMT2A (0.43) KMT2AWHR1CHEK2SOS2KCNH2
SCHEMBL27343467 0.84 KMT2A (0.41) KMT2AWHR1CHEK2KDM1AEHMT2
SCHEMBL27343346 0.79 LMNA (0.47) KMT2AWHR1RAB9AALDH1A1HPGD
SCHEMBL30736052 0.76 CHEK2 (0.42) WHR1CHEK2RAB9AALDH1A1HPGD
SCHEMBL27342922 0.76 CHEK2 (0.42) WHR1CHEK2RAB9AALDH1A1HPGD
SCHEMBL27343609 0.76 EPHX1 (0.51) KMT2ARAB9AKDM4EALDH1A1HSD17B10
SCHEMBL27343475 0.75 KDM4E (0.38) KMT2ACHEK2KDM4EALDH1A1HPGD
SCHEMBL30736177 0.75 KDM4E (0.39) KMT2ARAB9ASOS2KDM4EALDH1A1
SCHEMBL27343474 0.75 KDM4E (0.39) KMT2ARAB9ASOS2KDM4EALDH1A1

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