SCHEMBL11445253

SCHEMBL11445253

O=C(Cc1ccccc1)Nc1ccccc1N1CCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.65
KMT2A Q03164 3/20 0.65
GAA P10253 1/20 0.65
PKM P14618 1/20 0.65
ALDH1A1 P00352 5/20 0.62
TSHR P16473 3/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPK10 P53779 1/20 0.56
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
HPGD P15428 2/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 1/20 0.49

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
SCHEMBL11453386 0.87 RAB9A (0.53) KCNQ2KMT2AGAAPKMALDH1A1
SCHEMBL11446342 0.79 SMN1; SMN2 (0.59) KMT2AGAAALDH1A1TSHRLMNA
SCHEMBL13167010 0.79 KCNQ2 (1.00) KCNQ2KMT2AGAAPKMALDH1A1
SCHEMBL11445874 0.79 ALDH1A1 (0.64) KMT2APKMALDH1A1LMNAMAPT
SCHEMBL11445531 0.76 ALDH1A1 (0.67) KMT2AGAAPKMALDH1A1TSHR
SCHEMBL10640396 0.75 TP53 (0.53) KMT2AGAAALDH1A1TSHRLMNA
SCHEMBL11445291 0.75 TSHR (0.52) KCNQ2KMT2AGAAPKMALDH1A1
SCHEMBL8938751 0.75 MAPT (0.47) KMT2AGAAPKMALDH1A1TSHR
SCHEMBL10623856 0.73 KDM4E (0.58) PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL11446797 0.73 ALDH1A1 (0.56) KCNQ2KMT2AALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4186199-A Indolo-,1,2-dihydroindolo-, and 1,2,6,7-tetrahydroindolo [1,7-ab][1,5] benzodiazepines AMERICAN HOECHST CORPORATION (US) 1980-01-29 US disclosed