SCHEMBL9464772

SCHEMBL9464772

C1=CC(c2csc(Cc3ccccc3)n2)=N[N]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
LTA4H P09960 1/20 0.43
ECE1 P42892 1/20 0.43
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 2/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL9464656 0.77 SREBF2 (0.55) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL14133319 0.76 ALDH1A1 (0.64) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL3701935 0.73 LTA4H (0.65) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL12297165 0.73 SREBF2 (0.62) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL6980737 0.72 KMT2A (0.60) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL10952540 0.71 CYP19A1 (0.53) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL9465030 0.68 SREBF2 (0.55) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL12297163 0.68 MEN1 (0.53) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL9094721 0.68 NPC1 (0.53) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL2315172 0.68 HPGDS (0.53) HDAC1HDAC6HDAC8ALDH1A1RAB9A

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-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed