SCHEMBL19154409

SCHEMBL19154409

NC1CCCC[C@@H]1Oc1ccc(-c2ccccn2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ TP53 P04637 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ CCR1 P32246 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL19153621 1.00 KDM4E (0.47) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL19153531 1.00 KDM4E (0.47) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL19153254 1.00 KDM4E (0.47) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL20958747 0.83 FURIN (0.49) KDM4ELMNAPKMPIM1PIM3
SCHEMBL19153754 0.82 KDM4E (0.55) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL19154311 0.81 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL19153860 0.81 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL19153259 0.79 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL19128267 0.72 CHRNB2 (0.46) KDM4ESMN1; SMN2RAB9ALMNANPC1
SCHEMBL13052130 0.71 KDM4E (0.72) KDM4ESMN1; SMN2RAB9ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123991-A1 PYRIDAZINE DERIVATIVES AS EAAT2 ACTIVATORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-07-20 — — WO disclosed
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