SCHEMBL6674750

SCHEMBL6674750

CCNC(=N)Nc1ccc(N2CCCCC2)c(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 2/20 0.37
NPY2R P49146 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTT P42858 1/20 0.36
NCF1 P14598 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Hydrochloric Acid SCHEMBL7238980 0.99 KDM4E (0.43) KDM4ERECQLALDH1A1GAASMN1; SMN2
SCHEMBL6681425 0.99 KDM4E (0.44) KDM4ERECQLALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL6681783 0.98 KDM4E (0.43) KDM4ERECQLALDH1A1GAASMN1; SMN2
SCHEMBL6679306 0.79 KDM4E (0.43) KDM4ERECQLALDH1A1GAASMN1; SMN2
SCHEMBL6674751 0.78 KDM4E (0.41) KDM4ERECQLALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7238983 0.77 ADRA2A (0.42) KDM4ERECQLALDH1A1SMN1; SMN2KMT2A
SCHEMBL6681428 0.77 KDM4E (0.41) KDM4ERECQLALDH1A1KMT2AMEN1
SCHEMBL6676056 0.76 KDM4C (0.40) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL6676315 0.76 CYP1A2 (0.36) KDM4ERECQLALDH1A1GAASMN1; SMN2
SCHEMBL6678172 0.76 ALDH1A1 (0.34) ALDH1A1GAALMNAMAPTKMT2A

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed