SCHEMBL2173024

SCHEMBL2173024

C=C(c1ccncc1)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.39
ELANE P08246 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 3/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLOD1 Q02809 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10864320 0.84 MEN1 (0.46) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8497069 0.79 NPC1 (0.41) ALDH1A1KMT2AMEN1ELANELMNA
SCHEMBL27817130 0.78 MEN1 (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL31619553 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9594468 0.77 MEN1 (0.34) ALDH1A1KDM4EKMT2AMEN1ELANE
SCHEMBL2828217 0.76 MEN1 (0.43) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL6246649 0.74 KMT2A (0.60) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL3164058 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2ALMNAL3MBTL1
SCHEMBL491764 0.73 NAPRT (0.50) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL8416284 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102271508-A Pyrido (4,3-b) indoles containing rigid moieties 2011-12-07 CN disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed