SCHEMBL8966544

SCHEMBL8966544

O=C(NCCSc1ccncc1)c1cc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.57
▸ NAMPT P43490 2/20 0.55
▸ HDAC2 Q92769 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ACKR3 P25106 2/20 0.48
▸ NPC1 O15118 3/20 0.47

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
SCHEMBL8966996 0.93 RAB9A (0.61) RAB9ANAMPTHDAC2HDAC3HDAC1
SCHEMBL8966304 0.92 RAB9A (0.60) RAB9ANAMPTHDAC2HDAC3HDAC1
SCHEMBL8618591 0.82 RAB9A (0.56) RAB9ANAMPTHDAC2HDAC3HDAC1
SCHEMBL8966492 0.80 RAB9A (0.62) RAB9ANAMPTHDAC2HDAC3HDAC1
Hydrochloric Acid SCHEMBL8966338 0.79 RAB9A (0.61) RAB9ANAMPTHDAC2HDAC3HDAC1
SCHEMBL8616834 0.77 KDM4E (0.59) RAB9AKMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5092957 0.76 RAB9A (0.72) RAB9ANAMPTHDAC2HDAC3HDAC1
SCHEMBL8620030 0.76 RAB9A (0.60) RAB9ANAMPTHDAC2HDAC3HDAC1
SCHEMBL8613499 0.75 RAB9A (0.79) RAB9AKMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8615161 0.75 RAB9A (0.59) RAB9ANAMPTHDAC2HDAC3HDAC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 — — EP claimed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 — — EP claimed
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
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