SCHEMBL9766673

SCHEMBL9766673

CCCCNNc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 5/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ALOX5 P09917 1/20 0.44
EPHX1 P07099 3/20 0.43
HTT P42858 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH3 Q9ULD8 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL6461214 0.94 EPHX1 (0.50) GAAALDH1A1CTSDTDP1HDAC3
SCHEMBL28386850 0.92 EPHX1 (0.53) GAAALDH1A1CTSDTDP1HDAC3
SCHEMBL9738362 0.92 EPHX1 (0.53) GAAALDH1A1CTSDTDP1HDAC3
SCHEMBL12955826 0.92 EPHX1 (0.53) GAAALDH1A1CTSDTDP1HDAC3
SCHEMBL3451557 0.86 ALDH1A1 (0.50) GAAALDH1A1CTSDTDP1HDAC3
SCHEMBL11507917 0.84 ALDH1A1 (0.52) ALDH1A1CTSDTDP1EPHX1HTT
SCHEMBL1288288 0.81 MAPT (0.46) GAAALDH1A1TDP1HDAC3HDAC1
Octane SCHEMBL28820102 0.81 GAA (0.50) GAAALDH1A1CTSDTDP1ALOX5
SCHEMBL11771600 0.78 KCNH3 (0.47) GAAALDH1A1CTSDTDP1ALOX5
SCHEMBL21192367 0.78 ALDH1A1 (0.41) GAAALDH1A1CTSDTDP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217589-B ONOO-and/or Na for early diagnosis of tumors2S2Application of fluorescent probe reagent 湖南省肿瘤医院 2025-03-18 CN disclosed
CN-114452446-A Medical tube and preparation method thereof 脉通医疗科技(嘉兴)有限公司 2022-05-10 CN disclosed
CN-1198807-C 5-aryl-1H-1, 2, 4-triazole compounds as cyclooxygenase-2 inhibitors and pharmaceutical compositions containing them LAB THERAMEX (MC) 2005-04-27 CN disclosed
CN-1387517-A 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions contg. them LAB THERAMEX (MC) 2002-12-25 CN disclosed
US-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US disclosed
EP-0388320-A1 Antibacterial water-soluble cutting fluids resistant to yeast-like fungi YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) 1990-09-19 EP disclosed