SCHEMBL8440567

SCHEMBL8440567

CC1(C)Oc2cc(N)c(N)cc2C(N2CCCCC2)C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 2/20 0.41
▸ ABCC9 O60706 13/20 0.39
▸ ABCC8 Q09428 2/20 0.39
▸ KCNJ11 Q14654 2/20 0.39
▸ KCNJ8 Q15842 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.34
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL11102062 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL11102070 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL8442918 0.99 KDM4E (0.44) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL11158274 0.85 ABCB1 (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL11158302 0.85 ABCB1 (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL11158323 0.85 ABCB1 (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL11099923 0.84 CYP1A2 (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL8442549 0.84 CYP1A2 (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL11099927 0.84 CYP1A2 (0.46) KDM4EALDH1A1HPGDMEN1GAA
Hydrochloric Acid SCHEMBL11229196 0.84 ABCB1 (0.45) KDM4EALDH1A1HPGDMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919806-A 8-AMINOPYRANO(2.3-F)BENZO-OXADIAZOLES, THIADIAZOLES AND TRIAZOLES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-06 — — US disclosed
EP-0693283-A1 HEART FAILURE REMEDY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 — — EP disclosed
EP-0033612-B1 PYRANO DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-04-11 — — EP disclosed
US-4327099-A HYPOTENSIVE AGENTS, PYRANO(2,3-F)BENZIMIDAZOLE BEECHAM GROUP LIMITED (GB) 1982-04-27 — — US disclosed
EP-0033612-A1 Pyrano derivatives, a process for their preparation and antihypertensive compositions containing them BEECHAM GROUP PLC (GB) 1981-08-12 — — EP disclosed
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