SCHEMBL355054

SCHEMBL355054

Brc1ccc(Nc2ccc(Br)cn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
FDPS P14324 1/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3A P49840 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 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
SCHEMBL1104644 0.85 KMT2A (0.53) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL31532396 0.83 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL2280918 0.83 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL25296982 0.82 RAB9A (0.56) ALDH1A1RAB9ANPC1TSHRPKM
SCHEMBL8503997 0.80
SCHEMBL12952692 0.80
SCHEMBL246507 0.80
SCHEMBL8503999 0.80
SCHEMBL182965 0.80
SCHEMBL14839431 0.80 ALDH1A1 (0.41) ALDH1A1FDPSRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed