SCHEMBL8613499

SCHEMBL8613499

O=C(NCCSc1ccncc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.79
NPC1 O15118 7/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
RECQL P46063 1/20 0.79
ALDH1A1 P00352 6/20 0.72
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
EPHX2 P34913 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL8967171 0.91 RAB9A (0.66) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8967222 0.90 RAB9A (0.64) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8967975 0.83 NAAA (0.59) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
Hydrochloric Acid SCHEMBL8966539 0.83 KMT2A (0.59) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL4612806 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8795842 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8621053 0.81 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8654437 0.79 HPGD (0.54) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8966814 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10402679 0.79 RAB9A (0.49) RAB9ANPC1SMN1; SMN2RECQLALDH1A1

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