SCHEMBL8966513

SCHEMBL8966513

O=C(Cl)/C=C/c1cnc2ccccc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.75
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 2/20 0.68
PDGFRB P09619 1/20 0.61
PDGFRA P16234 1/20 0.61
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MGAM O43451 1/20 0.49
CYP3A4 P08684 2/20 0.48
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL8966515 1.00 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
Hydrochloric Acid SCHEMBL8613532 0.98 RAB9A (0.73) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
Hydrochloric Acid SCHEMBL8613530 0.98 RAB9A (0.73) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL17461333 0.86 RAB9A (1.00) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL372256 0.86 RAB9A (1.00) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL372255 0.86 RAB9A (1.00) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL6421753 0.84 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL4936531 0.84 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL5717723 0.84 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL6421749 0.84 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB

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 5 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
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP 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