SCHEMBL8967166

SCHEMBL8967166

COc1cc(OC)cc(C(=O)NCCCSc2ccncc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 4/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.48

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
SCHEMBL8966737 0.89 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL8967975 0.83 NAAA (0.59) NPC1RAB9AMAPTRECQLSMN1; SMN2
SCHEMBL8615055 0.80 RAB9A (0.70) NPC1RAB9AMAPTRECQLSMN1; SMN2
SCHEMBL8966997 0.80 SMN1; SMN2 (0.60) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL8967171 0.79 RAB9A (0.66) NPC1RAB9ARECQLSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8967090 0.79 SMN1; SMN2 (0.63) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL8966323 0.79 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8967979 0.78 KMT2A (0.49) NPC1RAB9AMAPTRECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL8966784 0.77 RAB9A (0.57) NPC1RAB9AMAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8966805 0.76 KMT2A (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 7 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
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