SCHEMBL29627552

SCHEMBL29627552

O=C(O)Cc1ccc2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 2/20 0.56
ENPP2 Q13822 2/20 0.56
NLRP3 Q96P20 3/20 0.55
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TYR P14679 1/20 0.48
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL3105331 1.00 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1ENPP2
Water SCHEMBL8810335 0.98 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL29518264 0.86 MAPT (0.56) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL3400912 0.86 MAPT (0.56) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL1607899 0.84 NLRP3 (0.53) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL30006017 0.84 NLRP3 (0.53) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL29820797 0.83 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL18132167 0.80 CYP1A2 (0.58) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL6675330 0.80 NLRP3 (0.64) KDM4EHPGDHSD17B10ALDH1A1ENPP2
SCHEMBL10645020 0.80 NLRP3 (0.60) KDM4EHPGDHSD17B10ALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 CN disclosed
CN-114929683-B Pyridine derivatives as modulators of calcium activated chloride channels 跨膜蛋白16A有限公司 2024-09-03 CN disclosed
EP-4103278-A1 SMALL MOLECULE STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2022-12-21 EP disclosed
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN disclosed
CN-115151540-A Polyheterocyclic compounds as METTL3 inhibitors 风暴治疗有限公司 2022-10-04 CN disclosed
CN-114929683-A Pyridine derivatives as calcium-activated chloride channel modulators 跨膜蛋白16A有限公司 2022-08-19 CN disclosed
EP-4003977-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS TMEM16A LIMITED (GB) 2022-06-01 EP disclosed