SCHEMBL2003864

SCHEMBL2003864

O=C(c1noc(-c2ccncc2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
PPARG P37231 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
RHEB Q15382 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 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
SCHEMBL1997410 0.94 MAPT (0.36) MAPTPPARGHSD17B10MEN1CYP3A4
SCHEMBL2002667 0.93 MEN1 (0.42) MAPTMEN1KMT2ARHEBP2RX3
SCHEMBL1999518 0.91 MAPT (0.43) MAPTPPARGHSD17B10MEN1CYP3A4
SCHEMBL1999738 0.91 CYP2C9 (0.39) MAPTCYP3A4TSHRALOX12KMT2A
SCHEMBL2007743 0.90 DRD2 (0.40) MAPTMEN1CYP3A4KMT2AALDH1A1
SCHEMBL2003672 0.90 KMT2A (0.45) MAPTMEN1CYP3A4TSHRKMT2A
SCHEMBL2002184 0.89 PTGES2 (0.41) MAPTPPARGHSD17B10MEN1CYP3A4
SCHEMBL2003734 0.89 ALOX5AP (0.42) MAPTHSD17B10MEN1CYP3A4TSHR
SCHEMBL2002572 0.88 HSD17B10 (0.36) MAPTPPARGHSD17B10MEN1CYP3A4
SCHEMBL2007854 0.87 FAAH (0.35) MAPTPPARGHSD17B10MEN1CYP3A4

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