SCHEMBL6804496

SCHEMBL6804496

O=C1CN(S(=O)(=O)C=Cc2ccc(F)cc2)CCN1NC1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP17A1 P05093 13/20 0.43
CYP21A2 P08686 10/20 0.43
CYP11B1 P15538 9/20 0.43
CYP3A4 P08684 3/20 0.43
CYP19A1 P11511 3/20 0.43
TSHR P16473 1/20 0.40
GPR183 P32249 1/20 0.39
F10 P00742 2/20 0.38
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6804493 1.00 KMT2A (0.48) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL6796799 0.91 F10 (0.47) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL5729383 0.91 LSS (0.42) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL5729378 0.91 LSS (0.42) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL6796805 0.91 F10 (0.47) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL5728929 0.91 USP2 (0.43) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL5728932 0.91 USP2 (0.43) KMT2AMEN1LMNACYP17A1CYP21A2
SCHEMBL5731142 0.88 GAA (0.51) KMT2ALMNACYP17A1CYP21A2CYP11B1
SCHEMBL5731138 0.88 GAA (0.51) KMT2ALMNACYP17A1CYP21A2CYP11B1
SCHEMBL5730007 0.77 LSS (0.43) KMT2AMEN1LMNACYP17A1CYP21A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed