SCHEMBL8682542

SCHEMBL8682542

CCC(c1n[nH]c2ccc(C(=O)O)cc12)N(C(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.35
▸ MAPK1 P28482 6/20 0.34
▸ MAP2K4 P45985 4/20 0.34
▸ MAPKAPK3 Q16644 3/20 0.34
▸ MAPK6 Q16659 3/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ RXRA P19793 1/20 0.32

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
SCHEMBL8682282 0.91 KDM4E (0.40) TTKMAPK8MAPK1JAK2MEN1
SCHEMBL8682545 0.75 F2 (0.37) HAO1MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL8682713 0.71 MAPK1 (0.42) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL8682283 0.68 KDM4E (0.40) MAPK1MEN1KMT2APOLB
SCHEMBL2715883 0.68 POLB (0.42) MEN1KMT2APOLB
SCHEMBL7229706 0.68 POLB (0.42) MEN1KMT2APOLB
SCHEMBL2861172 0.66 LRRK2 (0.61) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL6178638 0.66 LMNA (0.36) MEN1KMT2APOLB
SCHEMBL4898881 0.66 MAP2K4 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL7250534 0.65 POLB (0.46) MEN1KMT2APOLBPPARG

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-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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