SCHEMBL21067626

SCHEMBL21067626

O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3c(Cl)cccc23)c1-c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.47
▸ MAP2 P11137 1/20 0.45
▸ AR P10275 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ DYRK1A Q13627 4/20 0.43
▸ RPA1 P27694 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PBRM1 Q86U86 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
SCHEMBL31542356 0.76 NR4A2 (0.69) NR4A2KDM4EDYRK1AHTR2AALDH1A1
SCHEMBL2036977 0.76 NR4A2 (0.69) NR4A2KDM4EDYRK1AHTR2AALDH1A1
Lycogalic Acid A SCHEMBL29465596 0.75 ALDH1A1 (0.54) KDM4EALDH1A1HPGDPBRM1
Lycogalic Acid A SCHEMBL12955978 0.75 ALDH1A1 (0.54) KDM4EALDH1A1HPGDPBRM1
SCHEMBL29941741 0.74 AR (0.54) NR4A2ARDYRK1AHTR2A
SCHEMBL24896562 0.73 MAP2 (0.78) MAP2KDM4EDYRK1ARPA1MCL1
SCHEMBL15617048 0.73 DYRK1A (0.57) NR4A2MAP2ARDYRK1ACLK1
SCHEMBL24896367 0.71 KDM4E (0.55) MAP2KDM4EDYRK1ARPA1MCL1
SCHEMBL2979929 0.71 CSNK2A2 (0.69) NR4A2KDM4EDYRK1AALDH1A1HPGD
SCHEMBL12658020 0.71 F7 (0.60) NR4A2MAP2HTR2A

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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