SCHEMBL8967979

SCHEMBL8967979

Cc1cc(C(=O)NCCCSc2ccncc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
POLB P06746 1/20 0.49
NAAA Q02083 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8967975 0.86 NAAA (0.59) KMT2APOLBNAAATSHRL3MBTL1
SCHEMBL8966997 0.82 SMN1; SMN2 (0.60) KMT2APOLBNAAATSHRL3MBTL1
SCHEMBL8967171 0.79 RAB9A (0.66) KMT2APOLBNAAAL3MBTL1MEN1
SCHEMBL8967166 0.78 NPC1 (0.52) KMT2APOLBL3MBTL1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8966784 0.77 RAB9A (0.57) KMT2APOLBNAAATSHRL3MBTL1
SCHEMBL8966737 0.77 NPC1 (0.65) KMT2ATSHRL3MBTL1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8967090 0.76 SMN1; SMN2 (0.63) KMT2ANAAATSHRL3MBTL1MEN1
SCHEMBL8966323 0.76 KMT2A (0.45) KMT2APOLBNAAATSHRL3MBTL1
SCHEMBL17689058 0.76 HPGD (0.56) KMT2AMEN1SMN1; SMN2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL8966805 0.76 KMT2A (0.52) KMT2ATSHRL3MBTL1MEN1SMN1; SMN2

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