SCHEMBL8966759

SCHEMBL8966759

O=C(NCCCSc1ccncc1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.64
▸ GAA P10253 2/20 0.59
▸ NPC1 O15118 6/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ RAB9A P51151 5/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL8966486 0.96 KDM4E (0.62) KDM4EGAANPC1CYP1A2CYP2C9
SCHEMBL8616834 0.92 KDM4E (0.59) KDM4EGAANPC1CYP1A2CYP2C9
SCHEMBL8966328 0.88 KDM4E (0.58) KDM4EGAANPC1CYP1A2CYP2C9
SCHEMBL8614389 0.81 KDM4E (0.59) KDM4EGAANPC1CYP1A2CYP2C9
SCHEMBL8967975 0.80 NAAA (0.59) NPC1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8966500 0.80 GAA (0.68) KDM4EGAANPC1CYP1A2CYP2C9
SCHEMBL8967171 0.80 RAB9A (0.66) NPC1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8966475 0.80 NAMPT (0.56) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL8966873 0.80 ALDH1A1 (0.56) KDM4ESMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL8642529 0.79 NPC1 (0.47) GAANPC1CYP1A2CYP2C9CYP2C19

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
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