SCHEMBL10567624

SCHEMBL10567624

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc([N+](=O)[O-])ccc1OCCCCNC[C@@H](O)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.43
▸ ADRB1 P08588 4/20 0.43
▸ ADRB3 P13945 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL10566300 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10566298 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3MEN1KMT2A
Oxalic Acid SCHEMBL10564631 0.98 ATM (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
Oxalic Acid SCHEMBL10564624 0.98 ATM (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10524580 0.94 ADRB2 (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10524588 0.94 ADRB2 (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
Oxalic Acid SCHEMBL10566243 0.92 ATM (0.46) ADRB2ADRB1ADRB3MEN1KMT2A
Oxalic Acid SCHEMBL10566281 0.92 ATM (0.46) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10565925 0.90 DRD2 (0.49) MEN1KMT2AMAPK1ALDH1A1MAPT
Oxalic Acid SCHEMBL10567218 0.88 ALDH1A1 (0.48) MEN1KMT2AMAPK1ALDH1A1MAPT

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
Send feedback