SCHEMBL11252685

SCHEMBL11252685

CC(C(=O)O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.47
▸ PTGS1 P23219 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ C5 P01031 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ AKR1C3 P42330 10/20 0.43
▸ AKR1C2 P52895 10/20 0.43
▸ CDC42 P60953 1/20 0.43
▸ RAC1 P63000 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ FABP6 P51161 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MASP2 O00187 1/20 0.41

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
SCHEMBL11252692 0.88 FABP6 (0.52) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL5683519 0.81 FABP6 (0.50) MEN1KMT2AMAPTFABP6ABL1
SCHEMBL28410658 0.80 FABP6 (0.49) MEN1KMT2AMAPTFABP6ABL1
SCHEMBL29793642 0.80 FABP6 (0.49) MEN1KMT2AMAPTFABP6ABL1
SCHEMBL9289735 0.75 FABP6 (0.44) MEN1KMT2AMAPTFABP6ABL1
SCHEMBL1870891 0.73 FABP6 (0.55) MEN1KMT2AFABP6ABL1MASP2
SCHEMBL725577 0.72 FABP6 (0.50) MEN1KMT2AMAPTFABP6ABL1
Hydrochloric Acid SCHEMBL4682527 0.72 FABP6 (0.54) MEN1KMT2AFABP6ABL1MASP2
SCHEMBL15457670 0.71 ALDH1A1 (0.46) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL31370237 0.71 PKM (0.53) PTGS2PTGS1FABP6ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 — — US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 — — US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 — — US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — US disclosed
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