SCHEMBL30898513

SCHEMBL30898513

N#Cc1ccccc1OCc1nnc(N)s1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLAU P00749 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
FFAR1 O14842 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL3729107 0.78 MAPT (0.78) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL30282807 0.78 HTT (0.74) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL30287480 0.78 POLB (0.74) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL3725459 0.78 POLB (0.74) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL3736372 0.78 MAPT (0.61) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL3729052 0.78 HTT (0.74) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL3728335 0.75 MAPT (0.62) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL3723685 0.75 MAPT (0.58) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL25153570 0.75 RAB9A (0.58) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL3729134 0.74 MAPT (0.57) MAPTALDH1A1HPGDRAB9ANPC1

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
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN disclosed