SCHEMBL9595042

SCHEMBL9595042

Cc1ccc2c(Nc3ccc(CO)cc3)c3cc(C)ccc3nc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.55
▸ ACHE P22303 2/20 0.48
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48

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
SCHEMBL9595308 0.95 KDM1A (0.56) KDM1AACHETOP2ATOP2B
SCHEMBL9594322 0.95 KDM1A (0.53) KDM1AACHETOP2ATOP2B
SCHEMBL9595398 0.91 KDM1A (0.51) KDM1AACHETOP2ATOP2B
SCHEMBL9594083 0.91 KDM1A (0.67) KDM1ATOP2ATOP2B
SCHEMBL9594310 0.91 KDM1A (0.51) KDM1AACHETOP2ATOP2B
SCHEMBL9594932 0.91 KDM1A (0.65) KDM1AACHETOP2ATOP2B
SCHEMBL9593226 0.90 HDAC1 (0.57) KDM1A
SCHEMBL9595076 0.90 HDAC1 (0.55) KDM1A
SCHEMBL9594500 0.87 KDM1A (0.49) KDM1AACHE
SCHEMBL9594824 0.87 SLC2A1 (0.48) KDM1AACHE

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-5225409-A Serotoninergic disorders; anxiolytic agents; schizophrenia ADIR ET COMPAGNIE (FR) 1993-07-06 — — US disclosed
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