SCHEMBL6278920

SCHEMBL6278920

N#CC(C#N)C(=O)/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ PLIN1 O60240 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ PLIN5 Q00G26 2/20 0.53
▸ ABHD5 Q8WTS1 2/20 0.53
▸ F3 P13726 2/20 0.53
▸ TNKS O95271 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.53

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
SCHEMBL6283904 0.78 F3 (0.60) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL21878949 0.76 MAPT (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL7177472 0.76 MAPT (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL21858155 0.76 MAPT (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL7050399 0.76 MAPT (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
Cinnamic Acid SCHEMBL27798856 0.76 HCAR2 (0.83) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL21858154 0.76 MAPT (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL2622483 0.75 TDP1 (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL5231718 0.75 TDP1 (0.61) MAPTLMNAALDH1A1HDAC3HDAC4
SCHEMBL10719176 0.75 MAPT (0.59) MAPTLMNAALDH1A1HDAC3HDAC4

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
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