SCHEMBL9693767

SCHEMBL9693767

CN(C)c1ccccc1CSc1cnc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 6/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
PRNP P04156 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL9695466 0.75 ALDH1A1 (0.46) GAASMN1; SMN2HPGDHTTMAPT
Hydrochloric Acid SCHEMBL9695397 0.74 ALDH1A1 (0.45) GAASMN1; SMN2HPGDHTTMAPT
SCHEMBL9377015 0.74 KDM4E (0.50) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL9360647 0.70 MAPT (0.68) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL6483534 0.70 RAB9A (0.64) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL10866268 0.70 RAB9A (0.59) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9376353 0.70 NPC1 (0.57) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL15850624 0.70 MAPK1 (0.41) GAASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9693698 0.69 ATP4A (0.36) KDM4ESMN1; SMN2NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL9695063 0.69 NPC1 (0.56) KDM4EGAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US disclosed
EP-0234690-B1 SULFOXIDE DERIVATIVES AND THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-05-15 EP disclosed
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US disclosed
EP-0234690-A1 Sulfoxide derivatives and their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-02 EP disclosed