SCHEMBL10490290

SCHEMBL10490290

Oc1ccc(N2CCN(Cc3ccccn3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ LMNA P02545 1/20 0.68
▸ GFER P55789 1/20 0.68
▸ DRD4 P21917 3/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL15800714 0.88 KDM4E (0.71) KDM4EALDH1A1LMNAGFERDRD4
SCHEMBL6700278 0.85 KDM4E (0.64) KDM4EALDH1A1LMNAGFERDRD4
SCHEMBL6700274 0.82 KDM4E (0.68) KDM4EALDH1A1LMNAGFERDRD4
SCHEMBL30141847 0.82 CYP1A2 (0.71) KDM4EALDH1A1LMNAGFERNPSR1
SCHEMBL1331974 0.82 CYP1A2 (0.71) KDM4EALDH1A1LMNAGFERNPSR1
SCHEMBL1333260 0.82 CYP1A2 (0.71) KDM4EALDH1A1LMNAGFERNPSR1
SCHEMBL20804356 0.82 CYP1A2 (0.71) KDM4EALDH1A1LMNAGFERNPSR1
SCHEMBL29992091 0.82 CYP1A2 (0.71) KDM4EALDH1A1LMNAGFERNPSR1
SCHEMBL28691451 0.82 ALDH1A1 (0.64) KDM4EALDH1A1LMNAGFERNPSR1
SCHEMBL3926075 0.82 KDM4E (0.60) KDM4EALDH1A1LMNAGFERDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859670-A 2-Azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, agents containing same, and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-22 — — US disclosed
EP-0237962-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 — — EP disclosed
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