SCHEMBL8966475

SCHEMBL8966475

Cc1ccc(C(=O)NCCCSc2ccncc2)s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.56
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ACKR3 P25106 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ESR1 P03372 1/20 0.42

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
SCHEMBL17029109 0.81 NPC1 (0.76) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL8621386 0.80 NPC1 (0.59) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL8966759 0.80 KDM4E (0.64) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL8967975 0.78 NAAA (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL8966769 0.78 RXFP1 (0.44) NAMPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8966997 0.78 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL12789016 0.78 RAB9A (0.71) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL8642529 0.77 NPC1 (0.47) NAMPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8966996 0.76 RAB9A (0.61) NAMPTRAB9AUSP2KMT2APOLB
SCHEMBL8966486 0.76 KDM4E (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A

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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