SCHEMBL10692489

SCHEMBL10692489

O=C(O)Oc1ccc2nc(Br)c(Br)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NQO2 P16083 1/20 0.38
HPGD P15428 2/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NCEH1 Q6PIU2 1/20 0.36
CA2 P00918 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MAPT P10636 3/20 0.35
TUBB4A P04350 1/20 0.34

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
SCHEMBL7760476 0.89 KMT2A (0.47) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL9626241 0.86 ALDH1A1 (0.38) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL5265016 0.84 KMT2A (0.56) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL11084120 0.84 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL9812280 0.82 TDP1 (0.39) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL11567828 0.80 ALDH1A1 (0.42) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL9640851 0.75 ALDH1A1 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL4710387 0.74 MAPT (0.54) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL809274 0.74 KMT2A (0.55) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL10583759 0.73 ALDH1A1 (0.42) KMT2AALDH1A1KDM4ENPC1RAB9A

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-0255890-A1 Process for the reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1988-02-17 EP disclosed