SCHEMBL173049

SCHEMBL173049

CN(C)CCCNC(=O)c1cccc(-c2cccc(CN)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.62
FYN P06241 2/20 0.54
PRMT1 Q99873 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
TMEM97 Q5BJF2 3/20 0.51
CHUK O15111 1/20 0.50
INSR P06213 1/20 0.50
MAPK8 P45983 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE1C Q14123 1/20 0.48

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
SCHEMBL13060801 0.89 FYN (0.55) FYNSIGMAR1TMEM97CHUKINSR
SCHEMBL13005460 0.86 FYN (0.53) FYNSIGMAR1TMEM97CHUKINSR
SCHEMBL13060857 0.85 FYN (0.52) FYNSIGMAR1TMEM97HPGDMEN1
SCHEMBL172995 0.85 CFD (0.56) CFDSIGMAR1TMEM97ALDH1A1F11
SCHEMBL5109753 0.84 LOXL2 (0.54) CFDFYNSIGMAR1TMEM97MEN1
SCHEMBL24061105 0.84 FYN (0.57) FYNCHUKINSRMAPK8CAMKK2
SCHEMBL24061104 0.82 FYN (0.59) FYNCHUKINSRMAPK8CAMKK2
SCHEMBL13005464 0.82 FYN (0.49) FYNSIGMAR1TMEM97HPGDMEN1
SCHEMBL13060639 0.81 FYN (0.55) CFDFYNSIGMAR1TMEM97MEN1
SCHEMBL12055875 0.81 SIGMAR1 (0.59) FYNSIGMAR1TMEM97HPGDMEN1

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-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed