SCHEMBL11728397

SCHEMBL11728397

O=C(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.69
GFER P55789 1/20 0.69
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 1/20 0.66
MAPK1 P28482 1/20 0.66
STAT3 P40763 1/20 0.66
KMT2A Q03164 1/20 0.66
MAPKAPK2 P49137 4/20 0.62
APP P05067 1/20 0.58
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
AKR1C3 P42330 1/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.51
HSP90AA1 P07900 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL11812563 0.94 RAD52 (0.64) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL28845646 0.90 RAD52 (0.56) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11726280 0.88 MAPKAPK2 (0.75) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL10838774 0.88 MAPKAPK2 (0.61) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11546047 0.87 MAPT (0.59) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11542671 0.87 SMN1; SMN2 (0.58) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11541585 0.87 MAPT (0.58) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11734043 0.86 RAD52 (0.57) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11542429 0.86 MAPT (0.57) RAD52GFERMAPTSMN1; SMN2MEN1
SCHEMBL11542920 0.86 MAPT (0.57) RAD52GFERMAPTSMN1; SMN2MEN1

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-4057633-A ANTIANXIETY, HYPOTENSIVE THE UPJOHN COMPANY (US) 1977-11-08 US disclosed
US-3992382-A HYPERTENSION AND ANXIETY TREATMENT THE UPJOHN COMPANY (US) 1976-11-16 US disclosed