SCHEMBL10566344

SCHEMBL10566344

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc([N+](=O)[O-])ccc1OCCCCBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ GRK6 P43250 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL10568361 0.90 PTGDR2 (0.42) RAB9AMAPTMEN1KMT2APDE5A
SCHEMBL10568339 0.90 PTGDR2 (0.42) RAB9AMAPTMEN1KMT2APDE5A
SCHEMBL10565925 0.84 DRD2 (0.49) RAB9AMAPTMEN1KMT2AGAA
Oxalic Acid SCHEMBL10567218 0.82 ALDH1A1 (0.48) MAPTMEN1KMT2AGAAHTT
Oxalic Acid SCHEMBL10567216 0.82 ALDH1A1 (0.48) MAPTMEN1KMT2AGAAHTT
SCHEMBL10566353 0.82 ALDH1A1 (0.44) RAB9AMAPTMEN1KMT2AGAA
SCHEMBL10566298 0.79 ADRB2 (0.43) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10566300 0.79 ADRB2 (0.43) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10567624 0.79 ADRB2 (0.43) MAPTMEN1KMT2AALDH1A1CYP1A2
Oxalic Acid SCHEMBL10564624 0.78 ATM (0.45) MEN1KMT2AHTTALDH1A1CYP1A2

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-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 — — US disclosed
EP-0297613-A2 Pyridine derivatives, process for production thereof and pharmaceutical composition containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-01-04 — — EP disclosed
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