SCHEMBL27777976

SCHEMBL27777976

O=C(Oc1ccc(Br)c(CCBr)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.53
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
PARP10 Q53GL7 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL2291395 0.88 KMT2A (0.55) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2291481 0.78 KMT2A (0.46) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL4392427 0.74 NPC1 (0.56) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL27883921 0.74 KMT2A (0.55) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2570730 0.73 PTPN1 (0.56) KMT2AMAPTMEN1TDP1PARP10
Formaldehyde SCHEMBL7179419 0.72 NPC1 (0.54) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL2261141 0.72 PTPN1 (0.66) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL725405 0.72 PARP10 (0.77) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL4581548 0.72 CYP1A2 (0.63) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL8889874 0.71 KMT2A (0.53) KMT2AMAPTMEN1TDP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN disclosed
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed