SCHEMBL11787366

SCHEMBL11787366

CCCN(CC)c1cc(-c2ccccc2)ncn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MIF P14174 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
KMO O15229 1/20 0.41
CHRNA7 P36544 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11785458 0.91 KMT2A (0.97) KMT2ASMN1; SMN2L3MBTL1MIFASIC3
Hydrochloric Acid SCHEMBL11781352 0.89 KMT2A (1.00) KMT2ASMN1; SMN2L3MBTL1MIFASIC3
SCHEMBL11784098 0.88 KMT2A (0.76) KMT2ASMN1; SMN2L3MBTL1MIFASIC3
Hydrochloric Acid SCHEMBL11785563 0.87 KMT2A (0.78) KMT2ASMN1; SMN2L3MBTL1MIFASIC3
Hydrochloric Acid SCHEMBL11783670 0.80 KMT2A (0.76) KMT2ASMN1; SMN2L3MBTL1MIFASIC3
Hydrochloric Acid SCHEMBL11781344 0.78 KMT2A (0.56) KMT2AJAK2JAK3KMOCYP1A2
Hydrochloric Acid SCHEMBL11785641 0.77 KMT2A (0.68) KMT2ASMN1; SMN2L3MBTL1MIFASIC3
SCHEMBL11785604 0.75 KMT2A (0.68) KMT2ASMN1; SMN2L3MBTL1JAK2JAK3
Hydrochloric Acid SCHEMBL11783714 0.74 KMT2A (0.52) KMT2AJAK2JAK3KMOCYP1A2
Bromide SCHEMBL11785196 0.74 KMT2A (0.68) KMT2ASMN1; SMN2L3MBTL1JAK2JAK3

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-3950525-A BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES PFIZER INC. (US) 1976-04-13 US disclosed