SCHEMBL8149708

SCHEMBL8149708

Cc1nccn1CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 1/20 0.40
KCNH2 Q12809 7/20 0.39
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL8697896 0.84 KMT2A (0.53) ALDH1A1POLBKMT2ACHRM2CHRM5
SCHEMBL7479786 0.82 ALDH1A1 (0.43) ALDH1A1POLBKMT2ACHRM2CHRM5
SCHEMBL11210727 0.81 KMT2A (0.55) ALDH1A1POLBKMT2ACHRM2CHRM5
SCHEMBL14083460 0.80 ALDH1A1 (0.41) ALDH1A1POLBKMT2ACHRM2CHRM5
SCHEMBL4772963 0.80 KMT2A (0.59) ALDH1A1POLBKMT2ACHRM2CHRM5
SCHEMBL8135283 0.79 KCNH2 (0.42) ALDH1A1KMT2AKCNH2
SCHEMBL9030449 0.77 CHRM2 (0.61) ALDH1A1POLBKMT2ACHRM2CHRM5
SCHEMBL8141528 0.76 KCNH2 (0.44) ALDH1A1POLBKMT2AKCNH2TSHR
SCHEMBL8135273 0.74 KCNH2 (0.46) ALDH1A1POLBKMT2AKCNH2TSHR
SCHEMBL4779659 0.71 ALDH1A1 (0.72) ALDH1A1POLBKMT2AKDM4EP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0965590-A1 Process for the preparation of formylimidazoles LONZA A.G. (CH) 1999-12-22 EP claimed
US-6127548-A PREPARING OPTIONALLY SUBSTITUED 3H-IMIDAZOLE-4-CARBALDEHYDE BY PROTECTING THE 3-AMINO GROUP, THEN FORMYLATING IN PRESENCE OF AN ORGANOMETALLIC COMPOUND AND ELECTROPHILE WITH FORMYL LEAVING GROUP, DEPROTECTING WITH ACID OR STRONG BASE LONZA AG (CH) 2000-10-03 US disclosed
EP-0965590-A1 Process for the preparation of formylimidazoles LONZA A.G. (CH) 1999-12-22 EP disclosed
EP-0965590-A1 Process for the preparation of formylimidazoles LONZA A.G. (CH) 1999-12-22 EP disclosed