SCHEMBL11263012

SCHEMBL11263012

Nc1ccc(Cl)nc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAP2K3 P46734 1/20 0.42
PBRM1 Q86U86 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A2 P31213 1/20 0.38
CATSPER1 Q8NEC5 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL11715180 0.86 SRD5A2 (0.44) MAPTPOLBALDH1A1HPGDMEN1
SCHEMBL11708941 0.86 MAPT (0.48) MAPTGAAPOLBALDH1A1MAP2K3
Hydrochloric Acid SCHEMBL11708500 0.84 MAPT (0.47) MAPTGAAPOLBALDH1A1MAP2K3
SCHEMBL11720745 0.84 PARP1 (0.49) MAPTPOLBALDH1A1KMT2ACCNA2
SCHEMBL11826036 0.82 ALDH1A1 (0.50) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL11272310 0.80 RECQL (0.55) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL11716772 0.80 MAPT (0.43) MAPTGAAPOLBALDH1A1HTT
SCHEMBL536092 0.80 TDP1 (0.42) MAPTGAAPOLBALDH1A1MAP2K3
SCHEMBL11834773 0.79 ALDH1A1 (0.43) MAPTGAAPOLBALDH1A1HPGD
SCHEMBL11713185 0.79 MAPT (0.46) MAPTGAAPOLBALDH1A1MAP2K3

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-RE31071-E 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1982-11-02 US disclosed
US-4012397-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-15 US disclosed
US-4008223-A SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-15 US disclosed
US-3972873-A Certain pyrido[3,2-e]1,4-diazepinones and derivatives DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-08-03 US disclosed
US-3969361-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-07-13 US disclosed