SCHEMBL6937102

SCHEMBL6937102

C=CCSc1ccc(OCC)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
MITF O75030 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
ACACB O00763 1/20 0.33

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
Dimethylamine SCHEMBL6937545 0.95 RAB9A (0.38) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6938648 0.88 RAB9A (0.42) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6939698 0.86 NPC1 (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6940552 0.85 NPC1 (0.41) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6939446 0.85 ALDH1A1 (0.38) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6940340 0.81 L3MBTL1 (0.36) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6940557 0.81 ACACB (0.40) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6937541 0.81 HTR7 (0.38) KDM4EMEN1KMT2A
SCHEMBL6940408 0.79 ACACB (0.36) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6942005 0.79 RAB9A (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed