SCHEMBL8613527

SCHEMBL8613527

CCCCCCCCNCCCSc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 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
SCHEMBL8613522 1.00 SIGMAR1 (0.47) SIGMAR1CHRM2ALDH1A1ALOX12KMT2A
SCHEMBL8616294 0.97 SIGMAR1 (0.47) SIGMAR1CHRM2ALDH1A1ALOX12KMT2A
SCHEMBL8619395 0.97 SIGMAR1 (0.47) SIGMAR1CHRM2ALDH1A1ALOX12KMT2A
SCHEMBL15271423 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1
SCHEMBL15271663 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1
SCHEMBL27959557 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1
SCHEMBL11728517 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1
SCHEMBL15270973 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1
SCHEMBL15270700 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1
SCHEMBL10723137 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTNPC1

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-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
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
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