SCHEMBL29923906

SCHEMBL29923906

COc1cc(OC)c2nc(C)cc(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.47
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
NQO2 P16083 6/20 0.41
MEN1 O00255 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
GAA P10253 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
JAK2 O60674 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.38
PRNP P04156 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP19A1 P11511 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
SCHEMBL22750299 1.00 CRHR1 (0.47) CRHR1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL20867656 0.83 MAPT (0.50) CRHR1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL20521814 0.80 CYP3A4 (0.44) CRHR1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL20521940 0.80 KMT2A (0.44) CRHR1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL24915974 0.78 KMT2A (0.40) CRHR1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL1563307 0.77 GFER (0.50) CRHR1SMN1; SMN2POLBLMNANQO2
SCHEMBL24915777 0.76 MAPT (0.42) CRHR1KMT2APOLBLMNANQO2
SCHEMBL5262975 0.73 PDGFRB (0.42) KMT2ANQO2MEN1CYP1A2CYP3A4
SCHEMBL29923449 0.73 CYP3A4 (0.41) CRHR1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL29923869 0.73 PDGFRB (0.42) KMT2ANQO2MEN1CYP1A2CYP3A4

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed