SCHEMBL8967222

SCHEMBL8967222

O=C(NCCCCSc1ccncc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.54
NAAA Q02083 2/20 0.54
NFKB1 P19838 1/20 0.53
CASP3 P42574 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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 0.96 RAB9A (0.66) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8613499 0.90 RAB9A (0.79) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8967975 0.88 NAAA (0.59) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
Hydrochloric Acid SCHEMBL8966539 0.87 KMT2A (0.59) RAB9ANPC1SMN1; SMN2RECQLALDH1A1
SCHEMBL8966814 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8966355 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL8641088 0.83 NAAA (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8966997 0.82 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8967276 0.82 HDAC3 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8966805 0.81 KMT2A (0.52) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1

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