SCHEMBL2006154

SCHEMBL2006154

O=C(c1noc(-c2ccncc2)n1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
SRPK1 Q96SB4 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL2002572 0.91 HSD17B10 (0.36) SRPK1PTGES2S1PR3ALDH1A1KDM4E
SCHEMBL2001534 0.91 HDAC6 (0.41) DRD2PTGES2ALDH1A1LMNAKDM4E
SCHEMBL2012645 0.90 LMNA (0.40) SRPK1ALDH1A1LMNAMEN1POLB
SCHEMBL2002922 0.89 MAPT (0.35) SRPK1S1PR3ALDH1A1LMNAKDM4E
SCHEMBL2006095 0.88 FAAH (0.39) DRD2SRPK1PTGES2KDM4EMEN1
SCHEMBL2005678 0.88 STAT3 (0.35) PTGES2ALDH1A1LMNAKDM4EMEN1
SCHEMBL2007743 0.88 DRD2 (0.40) DRD2PTGES2S1PR3ALDH1A1LMNA
SCHEMBL2004407 0.87 FAAH (0.40) PTGES2S1PR3ALDH1A1LMNAKDM4E
SCHEMBL2009136 0.87 MAPT (0.40) DRD2PTGES2MEN1KMT2ACYP3A4
SCHEMBL2000833 0.86 KMT2A (0.42) ALDH1A1LMNAKDM4EMEN1KMT2A

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