SCHEMBL9681707

SCHEMBL9681707

CN(C)c1ccc(C(=O)C(C)(C)N(C)CCCCCCN(C)C(C)(C)C(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.49
HDAC6 Q9UBN7 9/20 0.49
HDAC2 Q92769 8/20 0.49
HDAC8 Q9BY41 8/20 0.49
HDAC10 Q969S8 7/20 0.49
HDAC11 Q96DB2 6/20 0.49
HDAC3 O15379 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
CNR2 P34972 1/20 0.42
LTA4H P09960 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL9681265 0.81 BCHE (0.46) HDAC1HDAC6HDAC2HDAC8HDAC10
SCHEMBL727322 0.79 ALDH1A1 (0.57) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL9681080 0.79 ALDH1A1 (0.57) HDAC1HDAC6HPGDALDH1A1MAPT
SCHEMBL2402208 0.76 L3MBTL1 (0.47) HDAC4HPGDALDH1A1MAPTRAB9A
SCHEMBL9681018 0.75 ALDH1A1 (0.50) HDAC1HDAC6HDAC2HDAC8HDAC10
SCHEMBL855138 0.75 ALDH1A1 (0.61) HDAC1HDAC6HPGDALDH1A1MAPT
SCHEMBL10891605 0.75 THRB (0.56) MAPT
SCHEMBL9681134 0.75 MAPT (0.68) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL11258091 0.74 KDM4E (0.49) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL194873 0.73 ALDH1A1 (0.59) HDAC1HDAC6HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 EP disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed