SCHEMBL9005904

SCHEMBL9005904

ONCc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CETP P11597 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 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
SCHEMBL4744464 0.82 ATP4A (0.45) DRD4LMNATP53SMN1; SMN2CETP
SCHEMBL2786491 0.82 PPARG (0.53) DRD4PPARG
SCHEMBL7922696 0.82 PPARG (0.64) DRD4TP53PPARGRAB9A
SCHEMBL9005930 0.81 ALDH1A1 (0.50) DRD4LMNATP53PPARGMAPT
SCHEMBL7922719 0.81 PPARG (0.48) DRD4PPARG
SCHEMBL9160316 0.81 PPARG (0.42) DRD4LMNATP53SMN1; SMN2CETP
SCHEMBL9005955 0.81 ALOX5 (0.47) DRD4LMNATP53SMN1; SMN2PPARG
SCHEMBL7926603 0.80 PPARG (0.50) PPARG
SCHEMBL7920692 0.80 PPARG (0.50) PPARGKMT2A
Trifluoroacetic Acid SCHEMBL7711566 0.79 PPARG (0.50) PPARG

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-5541205-A ANTIINFLAMMATORY AGENTS; ANTIASTHMA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 — — US disclosed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 — — US disclosed
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