SCHEMBL18892152

SCHEMBL18892152

CCCCOc1ccc(Br)cc1[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(CN(C)C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
P2RX4 Q99571 1/20 0.31
BACE1 P56817 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31

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
SCHEMBL18892498 1.00 LMNA (0.33) LMNACYSLTR2CYSLTR1RAB9AMAPT
SCHEMBL18892524 0.86 HDAC1 (0.37) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL18892428 0.85 RAB9A (0.38) LMNACYSLTR2CYSLTR1RAB9AMAPT
SCHEMBL17705271 0.81 LRRK2 (0.41) LMNARAB9ATP53L3MBTL1P2RX4
SCHEMBL17705256 0.81 LRRK2 (0.41) LMNARAB9ATP53L3MBTL1P2RX4
SCHEMBL18892525 0.77 LMNA (0.47) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL18892502 0.76 LMNA (0.36) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL16293780 0.76 LRRK2 (0.35) LMNATP53L3MBTL1P2RX4
SCHEMBL16294815 0.76 LRRK2 (0.35) LMNATP53L3MBTL1P2RX4
SCHEMBL18892497 0.76 LMNA (0.45) LMNAMAPTMEN1KMT2AAPOBEC3A

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed