SCHEMBL4082931

SCHEMBL4082931

[CH2]Nc1ccc(N2CCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ UBE2T Q9NPD8 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CNR2 P34972 8/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ AOC3 Q16853 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4082936 0.81 KCNQ3 (0.48) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL13006763 0.80 MAPT (0.49) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL26739746 0.78 MAPT (0.45) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL21732184 0.77 TRPV1 (0.49) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL22484548 0.77 KCNQ3 (0.48) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL8437284 0.76 TRPV1 (0.45) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL8260664 0.76 TRPV1 (0.48) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL4969527 0.76 KCNQ3 (0.60) KCNQ3KCNQ2MAPTALDH1A1LMNA
SCHEMBL20209551 0.76 KCNQ3 (0.50) KCNQ3KCNQ2MAPTUBE2TALDH1A1
SCHEMBL11833547 0.75 RAB9A (0.53) KCNQ3KCNQ2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 — — EP claimed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 — — EP claimed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 — — EP claimed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 — — WO claimed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 — — EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 — — WO disclosed
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