SCHEMBL9645773

SCHEMBL9645773

CCCCCN=C(NCCCCC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.55
EPHX1 P07099 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL9645767 1.00 NAAA (0.55) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL3068165 0.92 NAAA (0.49) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL3068162 0.92 NAAA (0.49) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL975934 0.83 NAAA (0.42) NAAAHDAC1
SCHEMBL11684143 0.82 ALDH1A1 (0.50) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL3074605 0.77 SCN5A (0.51) HTTALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL11781851 0.74 CES2 (0.47) NAAA
SCHEMBL30762090 0.74 CES2 (0.47) NAAA
SCHEMBL1003680 0.73 NAAA (0.96) NAAAHTTSMN1; SMN2HDAC3HDAC1
SCHEMBL4838301 0.73 CES2 (0.43) NAAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346713-B1 BENZAMIDINES USEFUL AS ULTRAVIOLET LIGHT ABSORBERS L. GIVAUDAN & CIE Société Anonyme (CH) 1992-09-16 EP disclosed
US-5011628-A N,N'-diarylbenzamidines useful as ultraviolet light absorbers GIVAUDAN CORPORATION (US) 1991-04-30 US disclosed
US-5011628-A N,N'-diarylbenzamidines useful as ultraviolet light absorbers GIVAUDAN CORPORATION (US) 1991-04-30 US disclosed
EP-0346713-A1 Benzamidines useful as ultraviolet light absorbers L. GIVAUDAN & CIE Société Anonyme (CH) 1989-12-20 EP disclosed