SCHEMBL5761331

SCHEMBL5761331

O=c1cc(N2CCCCC2)cn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ HTR3A P46098 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.41
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ IP6K1 Q92551 2/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL30961923 0.98 POLB (0.46) ALDH1A1POLBHTR3AHSD17B10MAPT
SCHEMBL5757671 0.84 CHRNB2 (0.53) HTR3ACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5759446 0.82 ALDH1A1 (0.47) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1588164 0.82 POLB (0.50) ALDH1A1POLBHTR3AMAPTMEN1
Hydrochloric Acid SCHEMBL4812347 0.82 CHRNB2 (0.51) HTR3ACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL31574277 0.75 SYK (0.41) CHRNB2CHRNA4KCNH2
SCHEMBL30961905 0.74 TIPARP (0.51) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL21590997 0.71 NAMPT (0.32) —
SCHEMBL25937317 0.69 HSD17B10 (0.53) ALDH1A1POLBHSD17B10MAPTMEN1
SCHEMBL19211078 0.69 KDM4E (0.46) POLBHTR3AMAPTCHRNB2CHRNA4

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
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 — — EP disclosed
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