SCHEMBL25838869

SCHEMBL25838869

C=CCNc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.37
PDK2 Q15119 4/20 0.36
DHFR P00374 2/20 0.33
ALOX12 P18054 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
SCHEMBL20941276 0.83 IDO1 (0.32) CA12CA1CA2CA9KMT2A
SCHEMBL9778154 0.83 KMT2A (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL9778153 0.82 KMT2A (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL808146 0.76 PDK2 (0.54) KMT2AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL17965671 0.74 PDK2 (0.57) KMT2AALDH1A1LMNAHTTL3MBTL1
SCHEMBL17993818 0.74 PDK2 (0.57) KMT2AALDH1A1LMNAHTTL3MBTL1
SCHEMBL2537623 0.74 ALDH1A1 (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL25764465 0.73 PDK2 (0.61) KMT2ALMNAMEN1POLBPDK2
SCHEMBL904506 0.71 PDK2 (0.62) KMT2AALDH1A1LMNACASP3HTT
SCHEMBL16002573 0.71 PDK2 (0.50) KMT2AALDH1A1LMNAL3MBTL1MEN1

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-2023117836-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed