SCHEMBL4378987

SCHEMBL4378987

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(Nc1ccncc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 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
SCHEMBL3003208 0.96 FAAH (0.53) FAAHMEN1KMT2AJAK2JAK1
SCHEMBL3005180 0.95 JAK2 (0.42) FAAHL3MBTL1MEN1KMT2AJAK2
SCHEMBL4377506 0.90 FAAH (0.45) FAAHL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3006234 0.89 JAK2 (0.46) FAAHMEN1KMT2AJAK2JAK1
SCHEMBL4097912 0.88 FAAH (0.51) FAAHMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4384519 0.88 FAAH (0.48) FAAHL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4375846 0.88 FAAH (0.46) FAAHL3MBTL1MEN1KMT2AJAK2
SCHEMBL4384405 0.88 FAAH (0.51) FAAHMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4094004 0.87 L3MBTL1 (0.44) FAAHL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL2999250 0.87 FAAH (0.48) FAAHL3MBTL1MEN1KMT2AJAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed