SCHEMBL8614756

SCHEMBL8614756

COc1cccc(NN=C(Cl)C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NLRP3 Q96P20 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM4 Q14833 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL13714540 1.00 MTNR1A (0.50) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL8859224 1.00 MTNR1A (0.50) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL17206059 0.88 NPC1 (0.51) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL20213819 0.88 NPC1 (0.51) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL519308 0.85 MTNR1A (0.52) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL5168032 0.81 CA1 (0.58) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL5168035 0.81 CA1 (0.58) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL8015189 0.81 CA1 (0.58) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL28337467 0.81 MAPT (0.51) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL9067633 0.80 MAPT (0.70) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810864-A4 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO INC (US) 1998-03-04 EP disclosed
EP-0810864-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1997-12-10 EP disclosed
US-5670504-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO. INC. (US) 1997-09-23 US disclosed
WO-1996025936-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1996-08-29 WO disclosed