SCHEMBL6286885

SCHEMBL6286885

N#CC(C#N)=C1CCCc2c(O)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.35
AR P10275 1/20 0.35
MAOB P27338 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL24483759 0.83 ALDH1A1 (0.48) EGFRPARP1ALDH1A1MEN1KMT2A
SCHEMBL24483586 0.82 EGFR (0.44) EGFRALDH1A1MAPTHPGDALOX15
SCHEMBL30067519 0.75 EGFR (0.54) EGFRPARP1ALDH1A1ARMEN1
SCHEMBL24483083 0.75 EGFR (0.54) EGFRPARP1ALDH1A1ARMEN1
SCHEMBL809325 0.74 CYP2A6 (0.46) EGFRALDH1A1MAOBMEN1KMT2A
SCHEMBL30067479 0.74 CYP2A6 (0.46) EGFRALDH1A1MAOBMEN1KMT2A
SCHEMBL25201186 0.71 EGFR (0.54) EGFRALDH1A1MAPTNPSR1CYP19A1
SCHEMBL7049498 0.71 EGFR (0.54) EGFRALDH1A1
SCHEMBL1662215 0.69 BCL2L1 (0.48) EGFRBCL2L1BADPARP1ALDH1A1
SCHEMBL14431629 0.69 BCL2L1 (0.48) EGFRBCL2L1BADPARP1ALDH1A1

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-RE38761-E1 Styryl compounds which inhibit EGF receptor protein tyrosine kinase YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-07-19 US disclosed
US-5217999-A Antigrowth agents YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1993-06-08 US disclosed
WO-1991016892-A1 STYRYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR PROTEIN TYROSINE KINASE RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-11-14 WO disclosed