SCHEMBL13060801

SCHEMBL13060801

CCc1cccc(-c2cccc(C(=O)NCCCN(C)C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.55
▸ SIGMAR1 Q99720 4/20 0.55
▸ TMEM97 Q5BJF2 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ METAP2 P50579 1/20 0.52
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PDE1A P54750 1/20 0.49
▸ PDE1B Q01064 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ PDE7A Q13946 1/20 0.49
▸ PDE1C Q14123 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ CHUK O15111 1/20 0.48
▸ INSR P06213 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
SCHEMBL13060857 0.96 FYN (0.52) FYNSIGMAR1TMEM97SMN1; SMN2METAP2
SCHEMBL13060639 0.92 FYN (0.55) FYNSIGMAR1TMEM97SMN1; SMN2MEN1
SCHEMBL12055875 0.92 SIGMAR1 (0.59) FYNSIGMAR1TMEM97SMN1; SMN2HPGD
SCHEMBL13060861 0.91 BCL2 (0.56) FYNSIGMAR1TMEM97SMN1; SMN2HPGD
SCHEMBL173049 0.89 CFD (0.62) FYNSIGMAR1TMEM97SMN1; SMN2METAP2
SCHEMBL13005460 0.87 FYN (0.53) FYNSIGMAR1TMEM97SMN1; SMN2METAP2
SCHEMBL24061105 0.85 FYN (0.57) FYNSMN1; SMN2METAP2HPGDMEN1
SCHEMBL12333454 0.84 USP2 (0.55) FYNSIGMAR1TMEM97SMN1; SMN2MEN1
SCHEMBL24061104 0.84 FYN (0.59) FYNSMN1; SMN2METAP2HPGDMEN1
SCHEMBL13005464 0.83 FYN (0.49) FYNSIGMAR1TMEM97SMN1; SMN2METAP2

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-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 — — US disclosed
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