SCHEMBL8965864

SCHEMBL8965864

Nc1ccc(OCc2cccc3ccccc23)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PIN1 Q13526 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PARP10 Q53GL7 2/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
BCAT2 O15382 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8965612 0.80 BCAT2 (0.39) KMT2AMEN1PARP10BCAT2AKR1B1
SCHEMBL8965974 0.76 IDO1 (0.51) PARP10BCAT2LMNAPOLBMAPT
SCHEMBL8965872 0.76 BCAT2 (0.46) RAB9ABCAT2FFAR1
SCHEMBL8966253 0.75 BCAT2 (0.41) BCAT2LMNAMAPTNPSR1CYP1A2
SCHEMBL933699 0.74 BCAT2 (0.55) RAB9ABCAT2LMNAMAPTSMN1; SMN2
SCHEMBL8966305 0.72 ABCB1 (0.49) RAB9ALMNASMN1; SMN2NPSR1
SCHEMBL3240197 0.72 CCR5 (0.39) CNR1CNR2PIN1KMT2AMEN1
SCHEMBL29148894 0.71 LMNA (0.41) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL10349749 0.71 PARP10 (0.71) CNR1CNR2KMT2AMEN1PARP10
SCHEMBL15249113 0.71 MEN1 (0.66) CNR1CNR2KMT2AMEN1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538970-A Treatment of cancer with imidazo-1,2-pyridazin compounds GLAXO WELLCOME INC. (US) 1996-07-23 US disclosed
US-5447956-A Anticarcinogenic agents BURROUGHS WELLCOME CO. (US) 1995-09-05 US disclosed
US-5380759-A Methyl N-[6-(3,4,5-trimethoxybenzloxy)imidazo[1,2-b]pyridazin-2-zyl]carbamate used to treat leukemia BURROUGHS WELLCOME CO. (US) 1995-01-10 US disclosed
US-5371219-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1994-12-06 US disclosed
EP-0305093-B1 Imidazo(1,2-b)pyridazine derivatives WELLCOME FOUND (GB) 1994-04-06 EP disclosed
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 US disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed