SCHEMBL8441133

SCHEMBL8441133

NCCNc1ccc(N=Nc2ccc(OCCO)cc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.45
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ FERMT2 Q96AC1 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL8441520 0.84 IDO1 (0.42) IDO1CA12CA3CA4CA6
SCHEMBL8814540 0.84 CHEK1 (0.50) IDO1MEN1KMT2AMAPTKDM4E
SCHEMBL8814541 0.84 CHEK1 (0.50) IDO1MEN1KMT2AMAPTKDM4E
SCHEMBL13478430 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL8441211 0.81 IDO1 (0.54) IDO1CA12CA3CA4CA6
SCHEMBL8441204 0.81 IDO1 (0.54) IDO1CA12CA3CA4CA6
SCHEMBL8439697 0.79 IDO1 (0.49) IDO1CA12CA3CA4CA6
SCHEMBL12378825 0.77 IDO1 (0.42) IDO1CA12CA3CA4CA6
SCHEMBL8441127 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL8275182 0.76 IDO1 (0.46) IDO1CA12CA3CA4CA6

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
US-5955472-A INHIBITION OF AMYLOID AGGREGATION IN ANIMALS AND PREVENTION OF ALZHEIMER'S DISEASE WARNER-LAMBERT COMPANY (US) 1999-09-21 — — US claimed
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