SCHEMBL29651111

SCHEMBL29651111

COc1cc2c(cc1[N+](=O)[O-])CN(C(C)C)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 4/20 0.44
ABCC1 P33527 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
SLC6A4 P31645 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
GRIA1 P42261 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
SCHEMBL27175304 1.00 RAB9A (0.50) RAB9ANPC1HRH3TDP1MAPT
SCHEMBL29520481 1.00 RAB9A (0.50) RAB9ANPC1HRH3TDP1MAPT
SCHEMBL2201533 1.00 RAB9A (0.50) RAB9ANPC1HRH3TDP1MAPT
SCHEMBL2060652 0.93 TDP1 (0.51) RAB9ANPC1HRH3TDP1MAPT
SCHEMBL2203986 0.89 RAB9A (0.47) RAB9ANPC1TDP1MAPTLMNA
SCHEMBL8035323 0.83 HRH3 (0.61) RAB9AHRH3MAPTABCB1MEN1
SCHEMBL20939331 0.82 MAOA (0.67) RAB9ANPC1MAPTLMNAHTT
SCHEMBL2204654 0.82 MAOA (0.67) RAB9ANPC1MAPTLMNAHTT
SCHEMBL29651228 0.82 MAOA (0.67) RAB9ANPC1MAPTLMNAHTT
SCHEMBL2574136 0.82 SIRT6 (0.57) RAB9ANPC1TDP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed