SCHEMBL13825834

SCHEMBL13825834

C=C(/C=C/c1ccccc1)NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GLA P06280 1/20 0.52
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
PLIN1 O60240 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 2/20 0.50
PLIN5 Q00G26 2/20 0.50
ABHD5 Q8WTS1 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TNKS O95271 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL20145712 0.81 MAPT (0.50) LMNAMAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL2843852 0.80 TDP1 (0.55) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL22524298 0.79 APP (0.47) LMNAMAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL20808077 0.78 SMN1; SMN2 (0.53) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL489257 0.77 GLA (0.61) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL11185426 0.77 GLA (0.61) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL10470695 0.77 TDP1 (0.50) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL13177035 0.77 ALDH1A1 (0.51) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL10470696 0.77 TDP1 (0.50) TDP1GLAHDAC3HDAC4HDAC1
SCHEMBL975354 0.77 HDAC2 (0.70) TDP1GLAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed