SCHEMBL9537126

SCHEMBL9537126

COc1c(C(=O)Nc2nnn[nH]2)[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 1/20 0.41
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40
TUBB2B Q9BVA1 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 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
SCHEMBL10372782 0.75 F10 (0.46) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL7678776 0.75 GAA (0.58) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL9535977 0.74 ALDH1A1 (0.40) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL3309109 0.73 TUBB4A (0.60) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL9535963 0.72 LMNA (0.40) MAPTNR4A2PKMKDM4E
SCHEMBL11111705 0.72 RAB9A (0.57) MEN1KMT2AALDH1A1MAPTADORA3
SCHEMBL11110352 0.72 POLB (0.57) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL14511140 0.72 POLB (0.43) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL7594358 0.72 MEN1 (0.56) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL22130444 0.71 NPC1 (0.54) MEN1KMT2ATUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP claimed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US claimed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP claimed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed