SCHEMBL9633100

SCHEMBL9633100

FC(F)=C(F)CCSc1nnc(-c2nnc(-c3ccccc3)o2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.38
EGFR P00533 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 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
SCHEMBL9631728 0.81 APEX1 (0.37) SMN1; SMN2MAPTKMT2AMAPK1APEX1
SCHEMBL9633136 0.80 NPSR1 (0.55) SMN1; SMN2NPC1RAB9AL3MBTL1NPSR1
SCHEMBL9631803 0.80 APEX1 (0.36) APEX1
SCHEMBL9631760 0.80 APEX1 (0.36) L3MBTL1APEX1
SCHEMBL9633107 0.74 GLA (0.34) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL10364751 0.73 KMT2A (0.52) NPSR1HPGDMAPTNOTUMMEN1
SCHEMBL10363686 0.72 LMNA (0.57) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL10363086 0.72 APEX1 (0.59) SMN1; SMN2NPC1L3MBTL1NPSR1KMT2A
SCHEMBL10363209 0.70 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1NPSR1
SCHEMBL20506744 0.68 APEX1 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1NPSR1

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-5162349-A Mercaptobis/1,3,4-oxa- and -thiadiazoles/ CIBA-GEIGY CORPORATION (US) 1992-11-10 US claimed
EP-0364396-A1 Neumaticides and fungicides CIBA-GEIGY AG (CH) 1990-04-18 EP claimed
US-5162349-A Mercaptobis/1,3,4-oxa- and -thiadiazoles/ CIBA-GEIGY CORPORATION (US) 1992-11-10 US disclosed
EP-0364396-A1 Neumaticides and fungicides CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed