SCHEMBL7480458

SCHEMBL7480458

CCC(Sc1nnc(N)s1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
PKM P14618 1/20 0.35
PAX8 Q06710 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7479429 0.83 HPGD (0.49) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7483116 0.79 ALDH1A1 (0.44) HPGDHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL7487235 0.75 HPGD (0.47) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7486396 0.75 SMN1; SMN2 (0.41) HPGDHSD17B10ALDH1A1KMT2AL3MBTL1
SCHEMBL11389834 0.71 ALDH1A1 (0.49) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL949944 0.71 KCNA5 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL15196339 0.70 KCNA5 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7483635 0.69 HSD17B10 (0.47) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12125558 0.68 KCNA5 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL20658225 0.68 KMT2A (0.61) ALDH1A1KMT2ASMN1; SMN2LMNAKCNH2

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
WO-1999020618-A1 THIADIAZOLES AMIDES USEFUL AS ANTIINFLAMMATORY AGENTS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed
WO-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed