SCHEMBL11446342

SCHEMBL11446342

O=C(Nc1ccccc1N1CCc2ccccc21)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 3/20 0.53
MAPK1 P28482 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL10546524 0.89 L3MBTL1 (0.55) SMN1; SMN2PLA2G1BATG4BLMNAPOLB
SCHEMBL11445626 0.86 ALDH1A1 (0.55) SMN1; SMN2PLA2G1BATG4BALDH1A1POLB
SCHEMBL11445134 0.85 TP53 (0.54) LMNAGAAALDH1A1POLBHPGD
SCHEMBL11445874 0.82 ALDH1A1 (0.64) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL2269025 0.81 MAPT (0.50) SMN1; SMN2PLA2G1BATG4BLMNAGAA
SCHEMBL11445179 0.81 ALDH1A1 (0.64) SMN1; SMN2LMNAALDH1A1NPSR1HPGD
SCHEMBL11445531 0.80 ALDH1A1 (0.67) SMN1; SMN2LMNAGAAALDH1A1NPSR1
SCHEMBL14428453 0.79 SMN1; SMN2 (0.47) SMN1; SMN2PLA2G1BATG4BLMNAGAA
SCHEMBL11445253 0.79 KCNQ2 (0.65) SMN1; SMN2LMNAGAAALDH1A1NPSR1
SCHEMBL11445291 0.78 TSHR (0.52) SMN1; SMN2LMNAGAAALDH1A1NPSR1

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 5 patents. 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
US-4182872-A CORRESPONDING 4-CARBOBENZOXY COMPOUNDS, 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)-ONES, 2,3,4,4A,5,6-HEXAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALINES, HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4182869-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4138567-A HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1979-02-06 US disclosed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US disclosed