SCHEMBL8617518

SCHEMBL8617518

O=C(NCSc1ccncc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
EPHX2 P34913 1/20 0.49
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
GFER P55789 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 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
SCHEMBL8621053 0.86 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL8967581 0.83 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL8966355 0.82 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL1316772 0.77 HTT (0.71) KMT2ASMN1; SMN2HTTPOLBMAPT
SCHEMBL8617513 0.76 P2RX7 (0.56) KMT2ASMN1; SMN2HTTNPC1RAB9A
SCHEMBL31658991 0.76 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL9341104 0.76 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL8615230 0.75 MAPK1 (0.49) KMT2ASMN1; SMN2HTTNPC1RAB9A
SCHEMBL8617638 0.75 NPC1 (0.43) KMT2ASMN1; SMN2HTTNPC1RAB9A
SCHEMBL11818472 0.75 HIF1A (0.67) KMT2ASMN1; SMN2HTTNPC1RAB9A

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