SCHEMBL29686802

SCHEMBL29686802

Cc1cnc(-c2cccc(N)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.54
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
METAP2 P50579 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 5/20 0.46
HDAC4 P56524 1/20 0.46
NPC1 O15118 4/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
ATAD2 Q6PL18 1/20 0.44

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
SCHEMBL21537534 0.86 MAP4K4 (0.59) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL24270332 0.84 MAP4K4 (0.74) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL16727393 0.82 RAB9A (0.55) HPGDMETAP2RAB9AHDAC4NPC1
SCHEMBL3492071 0.81 MAP4K4 (0.53) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL15416241 0.81 MAP4K4 (0.53) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL2627252 0.79 MAP4K4 (0.60) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL27783053 0.79 MEN1 (0.68) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL16602145 0.78 NPC1 (0.54) RAB9AHDAC4NPC1SMN1; SMN2NFKB1
SCHEMBL12947931 0.78 CYP3A4 (0.54) MAP4K4KDM4EALDH1A1MAPTHPGD
SCHEMBL2616114 0.77 IDO1 (0.47) ALDH1A1MAPTLMNARAB9AHDAC4

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
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed