SCHEMBL8776711

SCHEMBL8776711

C=CCNCCCNC(C)(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
KCNN4 O15554 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL130070 0.81 KCNN4 (0.41) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL173850 0.80 ATM (0.42) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
Bromide SCHEMBL1261498 0.80 ALDH1A1 (0.40) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
SCHEMBL11922815 0.74 KCNN4 (0.45) ALDH1A1GAANPSR1HTTLMNA
Acetic Acid SCHEMBL5720116 0.74 ALDH1A1 (0.45) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8863135 0.74 TGM2 (0.47) ALDH1A1GAASMN1; SMN2KMT2ANPC1
SCHEMBL9567759 0.73 HTT (0.41) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
Bromide SCHEMBL28991574 0.73 KCNN4 (0.44) ALDH1A1GAANPSR1HTTLMNA
Succinic Acid SCHEMBL7270158 0.72 ALDH1A1 (0.43) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
Succinic Acid SCHEMBL7270162 0.72 ALDH1A1 (0.43) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490515-B1 Method for preparing lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 1997-10-15 EP disclosed
US-5480762-A Method for preparing lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed
EP-0490515-A1 Method for preparing lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1992-06-17 EP disclosed