SCHEMBL11780445

SCHEMBL11780445

Cc1cc(N)ccc1N=Nc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
PLA2G7 Q13093 1/20 0.49
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 4/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 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
SCHEMBL11780439 1.00 MAPT (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11649694 0.87 CYP3A4 (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11649691 0.87 CYP3A4 (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL10409209 0.85 CYP3A4 (0.56) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9319051 0.85 CYP3A4 (0.56) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9611204 0.83 ALDH1A1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11685094 0.83 ALDH1A1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL10942486 0.82 TDP1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL10942481 0.82 TDP1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11783424 0.79 MAPT (0.46) MAPTRAB9AMEN1KMT2ANPC1

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-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed