SCHEMBL29989145

SCHEMBL29989145

Cc1nc2cc(CCl)ccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.57
NPC1 O15118 9/20 0.57
MAPT P10636 4/20 0.54
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL29268167 1.00 RAB9A (0.57) RAB9ANPC1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11372370 0.98 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL464392 0.84 MAPT (0.59) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL553989 0.83 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL3597739 0.83 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL19068762 0.81 MAPT (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL11364589 0.81 KMT2A (0.51) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL13034825 0.80 RAB9A (0.54) RAB9ANPC1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11412862 0.80 KMT2A (0.50) RAB9ANPC1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9665023 0.79 RECQL (0.39) RAB9ANPC1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 EP disclosed
CN-116917289-A T-type calcium channel antagonists and uses thereof 小利兰·斯坦福大学董事会 2023-10-20 CN disclosed
WO-2022216386-A9 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-01 WO disclosed
WO-2022216386-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-10-13 WO disclosed