SCHEMBL9185068

SCHEMBL9185068

N#CCCCC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 2/20 0.64
HDAC1 Q13547 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL28847641 0.94 TDP1 (0.68) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL31612315 0.93 TDP1 (0.71) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL29098894 0.93 TDP1 (0.71) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL31612295 0.93 TDP1 (0.71) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL1941975 0.88 TDP1 (0.57) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL2035615 0.82 TDP1 (0.67) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL28342825 0.81 KMT2A (0.55) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL11770456 0.81 NPC1 (0.54) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1052631 0.81 TDP1 (0.86) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7068671 0.81 TDP1 (0.95) TDP1MAPTL3MBTL1LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642779-B 2, 6-diaryl pyridine substance and preparation method thereof 温州大学 2021-04-16 CN disclosed
CN-110642779-A 2, 6-diaryl pyridine substance and preparation method thereof 温州大学 2020-01-03 CN disclosed
EP-0530696-B1 Process for the preparation of pentane 1,5-diamines BASF AG (DE) 1995-08-09 EP disclosed
US-5344983-A Selective preparation of linear pentane-1,5-diamines in increased yields BASF AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
EP-0530696-A2 Process for the preparation of pentane 1,5-diamines BASF Aktiengesellschaft (DE) 1993-03-10 EP disclosed
US-4277404-A INTERMEDIATES FOR TRANQUILIZERS PFIZER INC. (US) 1981-07-07 US disclosed
US-4267331-A REDUCTIVE ALKYLATION OF A 5-PHENYL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO/4,3-B/INDOLE WITH A REDUCING AGENT AND A 2-HYDROXY-5- OR 6-PHENYLFURAN OR -PYRAN PFIZER INC. (US) 1981-05-12 US disclosed
US-4252812-A TRANQUILIZERS PFIZER INC. (US) 1981-02-24 US disclosed
US-4224329-A TRANQUILIZERS PFIZER INC. (US) 1980-09-23 US disclosed
US-3980656-A LOWER SERUM LIPIDS HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed