SCHEMBL9828612

SCHEMBL9828612

COc1cc(C)c2ccc(Br)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.49
DHFR P00374 1/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 1/20 0.44
NQO2 P16083 3/20 0.41
MPO P05164 1/20 0.41
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.39
FBP1 P09467 1/20 0.38
PRNP P04156 1/20 0.38
PTGES O14684 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 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
SCHEMBL23619822 0.86 CYP1A2 (0.51) F2L3MBTL1DHFRLMNACYP1A2
SCHEMBL1224169 0.86 L3MBTL1 (0.60) F2L3MBTL1LMNACYP1A2KMT2A
SCHEMBL7697958 0.83 L3MBTL1 (0.49) F2L3MBTL1LMNAKMT2ANQO2
SCHEMBL8936095 0.79 POLB (0.64) L3MBTL1DHFRLMNACYP1A2KMT2A
SCHEMBL17657692 0.78 POLB (0.61) F2CYP1A2KMT2ANQO2MPO
SCHEMBL9828211 0.77 LMNA (0.47) F2L3MBTL1DHFRLMNACYP1A2
SCHEMBL423891 0.77 L3MBTL1 (0.71) L3MBTL1LMNACYP1A2KMT2APOLB
SCHEMBL25896032 0.75 F2 (0.46) F2L3MBTL1LMNAMPOACHE
SCHEMBL6791268 0.75 F2 (0.51) F2KMT2ANQO2MPOACHE
SCHEMBL17646468 0.75 BACE1 (0.59) F2ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0096214-B1 ANTIBACTERIAL PYRIMIDINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-02-27 EP disclosed
US-4587341-A BACTERICIDES BURROUGHS WELLCOME CO. (US) 1986-05-06 US disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 EP disclosed