SCHEMBL2002603

SCHEMBL2002603

O=C(c1nc(-c2ccncc2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
CNR2 P34972 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2003332 0.94 SMN1; SMN2 (0.39) MAPTLMNACNR2SMN1; SMN2TSHR
SCHEMBL2002228 0.91 LMNA (0.40) MAPTLMNAALDH1A1ALOX12CNR2
SCHEMBL2002547 0.91 RAB9A (0.39) MAPTLMNAALDH1A1ALOX12CNR2
SCHEMBL2007825 0.90 TP53 (0.43) MAPTLMNACNR2SMN1; SMN2TSHR
SCHEMBL2006152 0.89 LMNA (0.43) MAPTLMNAALDH1A1ALOX12CNR2
SCHEMBL2002094 0.89 SMN1; SMN2 (0.43) MAPTLMNAALDH1A1CNR2SMN1; SMN2
SCHEMBL2007450 0.89 LMNA (0.38) MAPTLMNAALDH1A1ALOX12CNR2
SCHEMBL2007930 0.88 PLA2G2A (0.38) MAPTLMNASMN1; SMN2TSHRTP53
SCHEMBL2003164 0.88 LMNA (0.42) MAPTLMNAALDH1A1ALOX12CNR2
SCHEMBL2001115 0.88 GRM5 (0.41) MAPTLMNAALDH1A1ALOX12SMN1; SMN2

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