SCHEMBL9842388

SCHEMBL9842388

[O]CN1CSc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HSD17B3 P37058 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
COMT P21964 1/20 0.35
MITF O75030 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL11995110 0.83 HDAC1 (0.37) HDAC1HDAC6NOTUMMAPTTP53
SCHEMBL3965007 0.81 MAPT (0.52) HDAC1HDAC6NOTUMMAPTTP53
SCHEMBL9842393 0.80 NOTUM (0.39) HDAC1HDAC6NOTUMMAPTTP53
SCHEMBL9842129 0.80 HDAC1 (0.35) HDAC1HDAC6NOTUMMAPTTP53
SCHEMBL3795637 0.80 KDM1A (0.40) HDAC1HDAC6NOTUMMAPTTP53
SCHEMBL9842125 0.80 MAPT (0.35) HDAC1HDAC6NOTUMMAPTTP53
SCHEMBL11430084 0.79 HDAC1 (0.36) HDAC1HDAC6NOTUMMAPTTP53
Iodide SCHEMBL3292671 0.78 KDM1A (0.39) HDAC1HDAC6NOTUMMAPTTP53
Bromide SCHEMBL1797567 0.78 KDM1A (0.39) HDAC1HDAC6NOTUMMAPTTP53
Bromide SCHEMBL4745574 0.78 KDM1A (0.39) HDAC1HDAC6NOTUMMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452811-A2 Package of photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 1991-10-23 EP disclosed
US-4237214-A P-DIHYDROXYBENZENE DEVELOPING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1980-12-02 US disclosed