SCHEMBL22415345

SCHEMBL22415345

Oc1ccc(F)cc1-c1cc(-c2ccccc2Br)[nH]n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.64
HPGD P15428 12/20 0.64
KMT2A Q03164 10/20 0.64
SMN1; SMN2 Q16637 9/20 0.64
MEN1 O00255 9/20 0.64
NPC1 O15118 4/20 0.59
NPSR1 Q6W5P4 5/20 0.57
POLB P06746 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ALOX15 P16050 9/20 0.56
NFKB1 P19838 4/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
MAPK1 P28482 4/20 0.56
ALOX12 P18054 3/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 2/20 0.56

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
SCHEMBL22415523 0.86 MAPT (0.76) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL10357883 0.84 MAPT (0.76) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL22415617 0.84 MAPT (0.64) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL22415570 0.84 MAPT (0.76) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL10357612 0.83 MAPT (0.67) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL3589281 0.82 MEN1 (0.56) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL17938568 0.81 MEN1 (0.66) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL6333836 0.81 KMT2A (0.55) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL22415371 0.80 MAPT (0.59) MAPTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL10357964 0.79 MEN1 (0.76) MAPTHPGDKMT2ASMN1; SMN2MEN1

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-3705476-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF Beijing Jialin Pharmaceutical Inc. (CN) 2020-09-09 EP disclosed