SCHEMBL31461679

SCHEMBL31461679

Cc1nc2ccccc2c2cc(CN=[N+]=[N-])nn12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 5/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR7 Q9NYK1 2/20 0.33
TNF P01375 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31461727 0.79 TSHR (0.42) KDM4EMAPTLMNATP53POLB
SCHEMBL31461670 0.79 KDM4E (0.42) KDM4EMAPTLMNATP53POLB
SCHEMBL16280692 0.68 ALDH1A1 (0.46) KDM4EMAPTTP53POLBHSD17B10
SCHEMBL11474094 0.68 ALOX15 (0.46) KDM4EMAPTLMNATP53POLB
SCHEMBL370069 0.66 PDE10A (0.43) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL28363563 0.66 KMT2A (0.41) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL31461658 0.65 ADORA3 (0.61) LMNAPDE10AMEN1KMT2AGAA
SCHEMBL15522679 0.65 KMT2A (0.53) KDM4EPOLBHSD17B10KMT2AGAA
SCHEMBL15692617 0.64 KDM4E (0.39) KDM4EMAPTPOLBHTTMEN1
SCHEMBL16841278 0.64 ADORA2A (0.73) KDM4EMAPTLMNATP53POLB

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed