SCHEMBL19102772

SCHEMBL19102772

CC(O)C#Cc1ccc(-c2cc(C(=O)NO)c3cnccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ DHODH Q02127 3/20 0.40
▸ TACR3 P29371 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 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
SCHEMBL17435509 0.94 MEN1 (0.41) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL19102589 0.89 DHODH (0.40) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL19102701 0.88 MEN1 (0.41) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL19102763 0.86 MEN1 (0.45) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL19102841 0.85 MEN1 (0.42) MEN1KMT2ACYP3A4DHODHTACR3
SCHEMBL17435505 0.85 DHODH (0.39) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL17435534 0.84 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL19102767 0.83 MEN1 (0.43) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL19102702 0.82 KMT2A (0.42) MEN1KMT2ACYP3A4CYP2C9DHODH
SCHEMBL17435731 0.81 MEN1 (0.40) MEN1KMT2ACYP3A4DHODHTACR3

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-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
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