SCHEMBL21963543

SCHEMBL21963543

N=C(S)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
KIF11 P52732 2/20 0.50
TGM2 P21980 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TRPV1 Q8NER1 2/20 0.47
PTGS1 P23219 2/20 0.47
CDK1 P06493 1/20 0.46
RORC P51449 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPT P10636 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL28014060 0.98 EPHX2 (0.57) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL11590901 0.79 KIF11 (0.59) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL6437577 0.79 KIF11 (0.59) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL23084253 0.79 EPHX2 (0.59) EPHX2KIF11TGM2NPC1RAB9A
Hydrochloric Acid SCHEMBL11253689 0.78 KIF11 (0.58) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL3826992 0.77 MAPT (0.60) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL27214948 0.76 RAB9A (0.61) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL27446924 0.76 EPHX2 (0.55) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL1387840 0.76 EPHX2 (0.55) EPHX2KIF11TGM2NPC1RAB9A
SCHEMBL28014759 0.76 MAPT (0.58) RAB9AALDH1A1MEN1KMT2AMAPT

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-20220008358-A1 METHODS FOR MANIPULATING CELL STATE TRANSITIONS IN CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-01-13 US disclosed
EP-3880803-A1 METHODS FOR MANIPULATING CELL STATE TRANSITIONS IN CANCER Agency for Science, Technology and Research (SG) 2021-09-22 EP disclosed
CN-113302288-A Methods of controlling cellular state transitions in cancer 新加坡科技研究局 2021-08-24 CN disclosed
WO-2020101571-A1 METHODS FOR MANIPULATING CELL STATE TRANSITIONS IN CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-05-22 WO disclosed