SCHEMBL8543237

SCHEMBL8543237

COC(=O)c1[nH]c2cc(Cl)ccc2c1N(C)CC(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.48
MDM2 Q00987 3/20 0.45
PARP1 P09874 1/20 0.42
MAP2K4 P45985 1/20 0.41
NR4A2 P43354 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL8542858 0.91 ALOX15 (0.42) ALOX15MDM2MAP2K4NR4A2TUBB4A
SCHEMBL8538334 0.89 ALOX15 (0.47) ALOX15MDM2NR4A2TUBB4ATUBB
SCHEMBL8545066 0.89 MDM2 (0.44) ALOX15MDM2TUBB4ATUBBTUBA3C
SCHEMBL8543818 0.88 ALOX15 (0.46) ALOX15MDM2
SCHEMBL8543687 0.80 ALOX15 (0.49) ALOX15MDM2PARP1MAP2K4NR4A2
SCHEMBL8542222 0.79 GPR17 (0.45) MDM2
SCHEMBL8543240 0.78 ALOX15 (0.48) ALOX15MDM2PARP1MAP2K4
SCHEMBL8540185 0.78 GPR17 (0.48) ALOX15MDM2
SCHEMBL8544705 0.77 GPR17 (0.43) MDM2
SCHEMBL9268324 0.75 MDM2 (0.53) ALOX15MDM2MAP2K4NR4A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US claimed
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed