SCHEMBL10499428

SCHEMBL10499428

O=C(CCCCCBr)Nc1ccc(O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC4 P56524 4/20 0.46
HDAC3 O15379 7/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC2 Q92769 3/20 0.44
NCOR2 Q9Y618 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
GRK2 P25098 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL6268396 0.87 POLB (0.58) HSD17B10NPC1ALDH1A1HDAC3HDAC1
SCHEMBL30944763 0.87 POLB (0.58) HSD17B10NPC1ALDH1A1HDAC3HDAC1
SCHEMBL17293747 0.87 POLB (0.58) HSD17B10NPC1ALDH1A1HDAC3HDAC1
SCHEMBL6274364 0.87 POLB (0.58) HSD17B10NPC1ALDH1A1HDAC3HDAC1
SCHEMBL6267767 0.85 POLB (0.59) HSD17B10NPC1ALDH1A1HDAC3HDAC1
SCHEMBL10499999 0.83 ALDH1A1 (0.58) ALDH1A1HDAC4HDAC3HDAC1HDAC2
SCHEMBL6273868 0.81 POLB (0.61) HSD17B10NPC1ALDH1A1HDAC3HDAC1
SCHEMBL8130639 0.80 TP53 (0.59) NPC1ALDH1A1HDAC4HDAC3HDAC1
SCHEMBL1289613 0.79 CHRM2 (0.50) HSD17B10NPC1CHRM2ALDH1A1POLB
SCHEMBL30293244 0.79 CHRM2 (0.50) HSD17B10NPC1CHRM2ALDH1A1POLB

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
US-4835180-A N-(ω-cyanoalkyl)aminophenols and use as inhibitors of lipoxygenase activity STERLING DRUG INC. (US) 1989-05-30 US disclosed
EP-0262618-A2 N-(omega)-cyanoalkyl)aminophenols, and their preparation STERLING DRUG INC. (US) 1988-04-06 EP disclosed