SCHEMBL6692403

SCHEMBL6692403

C=CCN(CC=C)c1ccc(-c2ccc(N(CC=C)CC=C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.46
GAA P10253 1/20 0.34
PTPN1 P18031 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
CRHR1 P34998 1/20 0.33
LSS P48449 2/20 0.33
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PYCR1 P32322 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL851567 0.92 CHKA (0.50) CHKAGAAPTPN1SMN1; SMN2ALDH1A1
SCHEMBL9811796 0.91 ALDH1A1 (0.43) CHKASMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL11040696 0.88 MAPT (0.53) CHKASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7162904 0.85 CHKA (0.46) CHKAGAAPTPN1SMN1; SMN2ALDH1A1
SCHEMBL6466250 0.85 CHKA (0.46) CHKAGAAPTPN1SMN1; SMN2ALDH1A1
SCHEMBL11784122 0.84 KIF11 (0.44) CHKASMN1; SMN2LMNA
SCHEMBL6469281 0.83 CHKA (0.39) CHKAALDH1A1
SCHEMBL5611650 0.83 ALDH1A1 (0.52) CHKAGAASMN1; SMN2ALDH1A1CRHR1
SCHEMBL1018958 0.81 ESR1 (0.45) CHKAGAAPTPN1ALDH1A1MAPT
SCHEMBL971785 0.81 CHKA (0.43) CHKAGAAPTPN1SMN1; SMN2ALDH1A1

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
US-20040242841-A1 Methods for extending amorphous photorefractive material lifetimes NITTO DENKO CORPORATION (JP) 2004-12-02 US disclosed
WO-2004082362-A2 METHODS FOR EXTENDING AMORPHOUS PHOTOREFRACTIVE MATERIAL LIFETIMES NITTO DENKO CORPORATION (JP) 2004-09-30 WO disclosed
US-5403958-A Fluoroalkoxy-substituted diarylamines as intermediates for charge transfer compounds HITACHI CHEMICAL CO., LTD. (JP) 1995-04-04 US disclosed