SCHEMBL13005455

SCHEMBL13005455

CC(C)Cc1cccc(-c2cccc(C(=O)NC(C)CN(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
UTS2R Q9UKP6 8/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL13060802 0.89 BCL2 (0.47) HPGDSUTS2RALDH1A1ATMHPGD
SCHEMBL13005424 0.88 HPGDS (0.43) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005431 0.88 HPGDS (0.43) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005434 0.87 HDAC4 (0.45) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005436 0.87 HDAC4 (0.45) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005665 0.86 MME (0.51) HPGDSUTS2RALDH1A1CTSBCTSL
SCHEMBL13005497 0.84 F2 (0.41) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005579 0.83 KMT2A (0.47) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005542 0.82 CTSD (0.40) HPGDSUTS2RF2F10PRSS1
SCHEMBL13005545 0.81 UTS2R (0.50) UTS2R

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