SCHEMBL30457940

SCHEMBL30457940

CC(Br)C(=O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.65
▸ F3 P13726 1/20 0.65
▸ NR4A2 P43354 1/20 0.61
▸ PYGL P06737 1/20 0.52
▸ NHERF1 O14745 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL9788942 1.00 F7 (0.65) F7F3NR4A2PYGLNHERF1
SCHEMBL24067322 0.88 F7 (0.69) F7F3NR4A2PYGLNHERF1
SCHEMBL25261694 0.84 NR4A2 (0.62) NR4A2ALDH1A1KMT2A
SCHEMBL26261524 0.83 NR4A2 (0.62) F7F3NR4A2PYGLNHERF1
SCHEMBL26261554 0.83 NR4A2 (0.62) F7F3NR4A2PYGLNHERF1
SCHEMBL25259281 0.83 NR4A2 (0.62) F7F3NR4A2PYGLNHERF1
SCHEMBL30457844 0.83 NR4A2 (0.62) F7F3NR4A2PYGLNHERF1
SCHEMBL25305847 0.82 KDM4E (0.55) NR4A2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL25306279 0.82 NR4A2 (0.60) F7F3NR4A2PYGLNHERF1
SCHEMBL25742072 0.80 NR4A2 (0.58) F7F3NR4A2PYGLNHERF1

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
EP-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 — — WO disclosed
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