SCHEMBL8966520

SCHEMBL8966520

C=C(C(=O)Cl)c1cnc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.63
▸ CFTR P13569 1/20 0.50
▸ TOP2A P11388 2/20 0.49
▸ TOP2B Q02880 2/20 0.49
▸ BCAT1 P54687 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAP4K4 O95819 1/20 0.44
▸ CSNK1G2 P78368 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
Hydrochloric Acid SCHEMBL8613533 0.98 MGAM (0.61) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL11419833 0.85 MGAM (0.70) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL30475741 0.84 MGAM (0.63) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL4936523 0.84 MGAM (0.63) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL336044 0.83 MGAM (0.71) MGAMCFTRTOP2ATOP2BBCAT1
Hydrochloric Acid SCHEMBL7902952 0.81 MGAM (0.69) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL28818314 0.80 MGAM (0.90) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL4815422 0.80 MGAM (0.71) MGAMCFTRTOP2ATOP2BBCAT1
SCHEMBL7371232 0.79 MGAM (0.76) MGAMCFTRTOP2ATOP2BBCAT1
Formaldehyde SCHEMBL28117649 0.78 MGAM (0.93) MGAMCFTRTOP2ATOP2BBCAT1

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 5 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
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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