SCHEMBL8967975

SCHEMBL8967975

O=C(NCCCSc1ccncc1)c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL8967171 0.93 RAB9A (0.66) NAAACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8966997 0.90 SMN1; SMN2 (0.60) NAAACYP1A2CYP2C9CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL8966805 0.89 KMT2A (0.52) L3MBTL1TSHRKMT2ASMN1; SMN2NPC1
SCHEMBL8967222 0.88 RAB9A (0.64) NAAACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8966737 0.87 NPC1 (0.65) L3MBTL1TSHRKMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8966784 0.87 RAB9A (0.57) NAAACYP1A2CYP2C9CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL8966539 0.87 KMT2A (0.59) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL8966814 0.86 RAB9A (0.72) CYP1A2CYP2C9CYP2C19TSHRKMT2A
SCHEMBL8967979 0.86 KMT2A (0.49) NAAACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8966298 0.85 KMT2A (0.45) NAAACYP1A2CYP2C9CYP2C19L3MBTL1

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