SCHEMBL10499445

SCHEMBL10499445

COC(=O)c1cc(NC(=O)CCCCCBr)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ EGFR P00533 7/20 0.52
▸ HDAC3 O15379 5/20 0.52
▸ HDAC4 P56524 5/20 0.52
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC7 Q8WUI4 5/20 0.52
▸ HDAC2 Q92769 5/20 0.52
▸ HDAC10 Q969S8 5/20 0.52
▸ HDAC11 Q96DB2 5/20 0.52
▸ HDAC8 Q9BY41 5/20 0.52
▸ HDAC6 Q9UBN7 5/20 0.52
▸ HDAC9 Q9UKV0 5/20 0.52
▸ HDAC5 Q9UQL6 5/20 0.52
▸ KDM4C Q9H3R0 1/20 0.50
▸ PRMT1 Q99873 3/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NOX4 Q9NPH5 1/20 0.47

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
SCHEMBL11892327 0.88 HDAC3 (0.66) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL11892329 0.88 EGFR (0.56) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL11195217 0.88 KMT2A (0.56) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL10602106 0.82 CNR1 (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10499564 0.81 HDAC3 (0.57) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL1822139 0.78 KMT2A (0.59) KMT2AEGFRKDM4CEPHX2MEN1
SCHEMBL8548740 0.77 ALDH1A1 (0.69) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2678367 0.76 CNR1 (0.74) KMT2AMEN1MAPT
SCHEMBL2678363 0.76 CNR1 (0.74) KMT2AMEN1MAPT
SCHEMBL23051369 0.76 KMT2A (0.56) KMT2AEGFRKDM4CEPHX2MEN1

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
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