SCHEMBL8967341

SCHEMBL8967341

O=C(c1ccccc1)N(CCOc1ccncc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.54
TSHR P16473 3/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
F10 P00742 2/20 0.47
SLC2A4 P14672 2/20 0.46
SLC2A8 Q9NY64 1/20 0.46
CYP3A4 P08684 2/20 0.45
PI4KB Q9UBF8 1/20 0.45
CYP2D6 P10635 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
Hydrochloric Acid SCHEMBL8967290 0.99 SLC2A1 (0.53) SLC2A1TSHRNPC1LMNAALOX15
SCHEMBL1122947 0.85 LPAR1 (0.59)
SCHEMBL5936689 0.83 GAA (0.52) SLC2A1TSHRF10
SCHEMBL8616097 0.81 TSHR (0.57) TSHRHDAC3HDAC1HDAC7HDAC10
SCHEMBL1122800 0.81 MAPT (0.62) SLC2A1NPC1CYP3A4CYP2D6HDAC1
Hydrochloric Acid SCHEMBL8617476 0.80 TSHR (0.56) TSHRHDAC3HDAC1HDAC7HDAC10
SCHEMBL3054586 0.79 RCE1 (0.60) SLC2A1CYP3A4CYP2D6
SCHEMBL8966760 0.78 CYP1A2 (0.48) SLC2A1TSHRCYP3A4CYP2D6HDAC3
SCHEMBL1123270 0.78 ALOX5 (0.53) NPC1LMNA
SCHEMBL1123016 0.78 RAB9A (0.51) SLC2A1TSHRLMNAMAPK1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed