SCHEMBL2008957

SCHEMBL2008957

O=C(c1noc(-c2cccnc2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 2/20 0.41
CYP1A2 P05177 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
VDR P11473 1/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2006916 0.94 LMNA (0.37) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2002777 0.91 LMNA (0.45) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2006526 0.91 L3MBTL1 (0.39) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2006048 0.91 LMNA (0.43) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2004109 0.90 LMNA (0.36) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2004576 0.90 HDAC6 (0.43) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2000706 0.90 RET (0.39) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2002749 0.88 NPC1 (0.41) LMNAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2004267 0.87 S1PR1 (0.42) LMNAMAPTTSHRKMT2AKDM4E
SCHEMBL2009008 0.86 LMNA (0.41) LMNAMAPTALDH1A1ALOX12CYP1A2

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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed