SCHEMBL11084698

SCHEMBL11084698

Cc1cc2ccccc2n1C.Cc1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.40
ALDH1A1 P00352 4/20 0.40
BRPF1 P55201 2/20 0.39
DAO P14920 1/20 0.39
MCL1 Q07820 1/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 3/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
SLC9A1 P19634 1/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL29378766 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1BRPF1DAO
SCHEMBL154592 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1BRPF1DAO
Ammonia Solution, Strong SCHEMBL28142197 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1BRPF1DAO
SCHEMBL11079777 0.77 PRKCI (0.54) ALDH1A1ACHEMAPT
Cyanide SCHEMBL6526282 0.77 KMT2A (0.50) KMT2AMEN1ALDH1A1BRPF1DAO
Formamide SCHEMBL8533326 0.76 DAO (0.47) KMT2AMEN1ALDH1A1BRPF1DAO
SCHEMBL27898683 0.76 DAO (0.47) KMT2AMEN1ALDH1A1BRPF1DAO
SCHEMBL1172151 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1BRPF1DAO
SCHEMBL29528615 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1BRPF1DAO
SCHEMBL5700702 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1BRPF1DAO

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
US-4443615-A ANILINE, GLYCOL OR EPOXIDE, SILICA AND/OR ALUMINA CATALYST TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 US disclosed