SCHEMBL7705022

SCHEMBL7705022

O=c1c(=O)c2cc(Br)ccc2oc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
PIM1 P11309 2/20 0.44
CHUK O15111 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
TBK1 Q9UHD2 1/20 0.41
PTPN1 P18031 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CDC7 O00311 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PIM3 Q86V86 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL30593476 0.97 KMT2A (0.55) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL28458382 0.97 KMT2A (0.55) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL15631616 0.87 CHUK (0.47) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL874481 0.86 KMT2A (0.56) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL29416622 0.79 PIM1 (0.58) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL2588529 0.79 PIM1 (0.58) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL21398285 0.78 IDO1 (0.48) KMT2AALDH1A1CHUKIDO1TDO2
SCHEMBL25625940 0.77 KMT2A (0.64) KMT2AALDH1A1TSHRHPGDPIM1
SCHEMBL47040 0.76 PIM1 (0.51) KMT2AALDH1A1HPGDPIM1TBK1
SCHEMBL30593469 0.76 PIM1 (0.51) KMT2AALDH1A1HPGDPIM1TBK1

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed