SCHEMBL10603852

SCHEMBL10603852

CC(=O)Nc1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MAPT P10636 5/20 0.65
LMNA P02545 5/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TSHR P16473 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 2/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
OPRK1 P41145 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL9661011 0.81 MAPT (0.78) KMT2AMAPTLMNAL3MBTL1TSHR
SCHEMBL8796397 0.79 KMT2A (0.66) KMT2AMAPTLMNAHSD17B10RAB9A
SCHEMBL410820 0.79 LMNA (1.00) KMT2AMAPTLMNAL3MBTL1TSHR
SCHEMBL18527818 0.78 KMT2A (0.72) KMT2AMAPTLMNAHSD17B10RAB9A
SCHEMBL18527815 0.78 KMT2A (0.72) KMT2AMAPTLMNAHSD17B10RAB9A
SCHEMBL9585233 0.76 MEN1 (0.70) KMT2AMAPTLMNAL3MBTL1TSHR
SCHEMBL10608854 0.76 KMT2A (0.73) KMT2AMAPTLMNACYP2D6RAB9A
SCHEMBL10605779 0.76 KMT2A (0.66) KMT2AMAPTLMNAHSD17B10RAB9A
SCHEMBL9166449 0.76 KMT2A (0.70) KMT2AMAPTLMNATSHRCYP2D6
SCHEMBL10603968 0.76 KMT2A (0.69) KMT2AMAPTLMNARAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4837305-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-06-06 US disclosed
US-4687873-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-08-18 US disclosed
EP-0117089-A1 Beta-adrenergic antagonist compounds and derivatives of beta-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-08-29 EP disclosed