SCHEMBL8615230

SCHEMBL8615230

CNC(=O)c1ccccc1C(=O)NCSc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 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
SCHEMBL8617513 0.81 P2RX7 (0.56) MAPK1NPC1RAB9AALDH1A1LMNA
SCHEMBL8617518 0.75 KMT2A (0.52) NPC1RAB9APOLBALDH1A1PKM
SCHEMBL10403044 0.73 NPC1 (0.49) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL10403043 0.73 NPC1 (0.44) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL8617520 0.72 RAB9A (0.63) NPC1RAB9AALDH1A1PKMHTT
SCHEMBL8966518 0.72 POLB (0.42) MAPK1POLBALDH1A1LMNAHTT
SCHEMBL2344909 0.72 GAA (0.71) POLBALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL8966534 0.71 TDP1 (0.53) NPC1RAB9APOLBALDH1A1HTT
SCHEMBL29315261 0.71 HTT (0.56) HTTKMT2AHPGDGAA
SCHEMBL8795842 0.70 NPC1 (0.57) NPC1RAB9APOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
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