SCHEMBL6945936

SCHEMBL6945936

CCc1ccccc1N/C=C1\C(=O)N(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N=C1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KAT8 Q9H7Z6 2/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
USP2 O75604 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6945950 1.00 KMT2A (0.43) KMT2AKAT8POLBSMN1; SMN2TSHR
SCHEMBL8015723 0.96 KMT2A (0.41) KMT2AKAT8POLBSMN1; SMN2TSHR
SCHEMBL8015719 0.96 KMT2A (0.41) KMT2AKAT8POLBSMN1; SMN2TSHR
SCHEMBL6951965 0.90 KDM4E (0.43) KMT2AKAT8POLBSMN1; SMN2ALDH1A1
SCHEMBL6951963 0.90 KDM4E (0.43) KMT2AKAT8POLBSMN1; SMN2ALDH1A1
SCHEMBL8026222 0.89 LMNA (0.45) KMT2AKAT8POLBSMN1; SMN2ALDH1A1
SCHEMBL8026223 0.89 LMNA (0.45) KMT2AKAT8POLBSMN1; SMN2ALDH1A1
SCHEMBL8009024 0.86 KDM4E (0.40) KMT2AKAT8CA1CA2CA9
SCHEMBL8425230 0.86 KDM4E (0.40) KMT2AKAT8CA1CA2CA9
SCHEMBL6950173 0.82 KAT8 (0.42) KMT2AKAT8POLBSMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP claimed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP claimed
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed
EP-0930881-A1 PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed
WO-1998016224-A1 PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY MERCK PATENT GMBH (DE) 1998-04-23 WO disclosed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed