SCHEMBL22245529

SCHEMBL22245529

O=C(O)c1ccnc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ASPH Q12797 1/20 0.45
▸ KDM8 Q8N371 1/20 0.45
▸ DHODH Q02127 3/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ KDM4C Q9H3R0 6/20 0.39
▸ KDM5A P29375 4/20 0.39
▸ KDM5B Q9UGL1 3/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ KMO O15229 2/20 0.38

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
SCHEMBL22245628 0.83 KDM4E (0.56) KDM4EASPHKDM8DHODHBCL2L1
SCHEMBL22245585 0.82 KDM4E (0.48) KDM4EASPHKDM8DHODHBCL2L1
SCHEMBL22245497 0.77 DHODH (0.44) KDM4EASPHKDM8DHODHBCL2L1
SCHEMBL28988558 0.77 KDM4E (0.45) KDM4EASPHKDM8DHODHBCL2L1
SCHEMBL3712467 0.77 KDM4E (0.67) KDM4EDHODHBCL2L1BADTDP1
SCHEMBL28988578 0.76 KDM4E (0.43) KDM4EASPHKDM8BCL2L1BAD
SCHEMBL481041 0.75 NAPRT (0.55) KDM4EASPHKDM8TDP1KDM4C
SCHEMBL22245516 0.75 KDM4E (0.45) KDM4EASPHKDM8DHODHBCL2L1
SCHEMBL23930207 0.73 DHODH (0.43) KDM4EDHODHBCL2L1BADKMO
SCHEMBL28988572 0.73 KDM4E (0.40) KDM4EASPHKDM8DHODHBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003406-B Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2024-01-23 — — CN disclosed
CN-116003406-A Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2023-04-25 — — CN disclosed
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 — — EP disclosed
WO-2020147705-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2020-07-23 — — WO disclosed
Send feedback