SCHEMBL28047658

SCHEMBL28047658

COc1ccc(NCc2cc(C)ccc2C(=O)OBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
HIF1A Q16665 2/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FFAR1 O14842 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
MAOA P21397 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL11774151 0.78 MAPT (0.56) MEN1KMT2AHIF1AMAPTSMN1; SMN2
SCHEMBL28075095 0.74 MAPT (0.36) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL20813242 0.70 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2FFAR1
SCHEMBL6393653 0.68 NR4A2 (0.46) CA1CA2ATMMAPTGAA
SCHEMBL1179448 0.68 EGFR (0.59) CA1CA2HIF1ASMN1; SMN2AKR1C3
SCHEMBL28516843 0.68 GAA (0.60) CA1CA2MEN1KMT2AMAPT
SCHEMBL169696 0.68 MAPT (0.72) CA1CA2MEN1KMT2AHIF1A
SCHEMBL12488919 0.68 NR4A2 (0.49) CA1CA2ATMMAPTGAA
SCHEMBL8345852 0.68 MAPT (0.72) CA1CA2MEN1KMT2AHIF1A
SCHEMBL27523872 0.67 KMT2A (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1

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
CN-105315283-A Bruton tyrosine kinases inhibitor CHENGDU BEISIKAIRUI BIOTECHNOLOGY CO LTD 2016-02-10 CN disclosed