SCHEMBL8656102

SCHEMBL8656102

O=C1Nc2cccnc2C1C(=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTNNB1 P35222 1/20 0.37
POLB P06746 1/20 0.37
GSK3B P49841 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8657521 0.80 ABL1 (0.37) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL8654692 0.80 MEN1 (0.39) ALDH1A1KMT2ANPC1RAB9AHSD17B10
SCHEMBL8652824 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ANPC1RAB9AHSD17B10
SCHEMBL8657477 0.80 TDP1 (0.37) ALDH1A1KMT2ANPC1HSD17B10MAPT
SCHEMBL8654023 0.80 ALDH1A1 (0.35) ALDH1A1KMT2ANPC1RAB9AHSD17B10
Ammonia Solution, Strong SCHEMBL27320686 0.79 TDP1 (0.36) ALDH1A1KMT2ANPC1HSD17B10MAPT
SCHEMBL9834046 0.78 MAPT (0.47) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL9753843 0.77 RAB9A (0.38) ALDH1A1RAB9AMAPTPOLBKDM4E
SCHEMBL8655676 0.75 POLB (0.41) ALDH1A1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL8654232 0.75 POLB (0.41) ALDH1A1KMT2AMAPTHTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 EP disclosed