SCHEMBL8967158

SCHEMBL8967158

O=C(c1ccccc1)N(CCCSc1ccncc1)Cc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 1/20 0.46
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
TRPM8 Q7Z2W7 3/20 0.40
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38

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
Hydrochloric Acid SCHEMBL8966348 0.99 HDAC1 (0.48) HDAC1HDAC6KMT2AMEN1USP2
SCHEMBL8967239 0.86 LPAR1 (0.46) HDAC1HDAC6KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL8966681 0.85 LPAR1 (0.46) HDAC1HDAC6KMT2AMEN1TSHR
SCHEMBL8616017 0.85 HDAC1 (0.47) HDAC1HDAC6KMT2AMEN1USP2
Hydrochloric Acid SCHEMBL8966680 0.84 ALDH1A1 (0.47) KMT2AMEN1USP2MAPTTSHR
Hydrochloric Acid SCHEMBL8620508 0.84 HDAC1 (0.47) HDAC1HDAC6KMT2AMEN1USP2
SCHEMBL6127323 0.82 HDAC1 (0.61) HDAC1HDAC6KMT2AMEN1USP2
Hydrochloric Acid SCHEMBL8794670 0.81 POLB (0.39) KMT2AMEN1MAPTTSHRTDP1
SCHEMBL8967342 0.81 HDAC1 (0.44) HDAC1KMT2AMEN1MAPTTSHR
Hydrochloric Acid SCHEMBL8966843 0.80 L3MBTL1 (0.46) HDAC1KMT2AMEN1MAPTTSHR

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 6 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
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