SCHEMBL8967342

SCHEMBL8967342

O=C(c1ccccc1)N(CCCSc1ccncc1)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
LIN28A Q9H9Z2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPY5R Q15761 1/20 0.37
HKDC1 Q2TB90 1/20 0.37

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 SCHEMBL8966843 0.99 L3MBTL1 (0.46) HDAC1L3MBTL1F2SMN1; SMN2CYP1A2
SCHEMBL8967239 0.87 LPAR1 (0.46) HDAC1L3MBTL1CYP1A2CYP2C19TSHR
SCHEMBL8966730 0.86 ALDH1A1 (0.42) HDAC1L3MBTL1SMN1; SMN2CYP1A2TSHR
SCHEMBL8614975 0.86 ALDH1A1 (0.52) HDAC1L3MBTL1F2SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL8966681 0.86 LPAR1 (0.46) HDAC1L3MBTL1CYP1A2CYP2C19TSHR
Hydrochloric Acid SCHEMBL8966687 0.85 ALDH1A1 (0.41) HDAC1L3MBTL1SMN1; SMN2CYP1A2TSHR
Hydrochloric Acid SCHEMBL8615124 0.85 ALDH1A1 (0.51) HDAC1L3MBTL1F2SMN1; SMN2CYP1A2
SCHEMBL8966793 0.83 HDAC1 (0.37) HDAC1L3MBTL1SMN1; SMN2CYP1A2TSHR
Hydrochloric Acid SCHEMBL8966715 0.82 L3MBTL1 (0.38) HDAC1L3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8967158 0.81 HDAC1 (0.49) HDAC1TSHRALDH1A1MEN1KMT2A

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