SCHEMBL8084537

SCHEMBL8084537

CC(C)N(C(=O)Cc1ccc(Br)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
EPHX1 P07099 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15651246 0.81 OPRK1 (0.43) TSHRLMNAALDH1A1
SCHEMBL14958584 0.81 TDP1 (0.57) KMT2AEGFRERBB2LMNAALDH1A1
SCHEMBL12157433 0.81 KMT2A (0.53) KMT2AMEN1TSHR
SCHEMBL3129879 0.79 MEN1 (0.51) KMT2AMEN1SIGMAR1SMN1; SMN2
SCHEMBL8437183 0.76 SRD5A2 (0.64) KMT2AMEN1ALDH1A1
SCHEMBL467498 0.76 KMT2A (0.56) KMT2AMEN1SIGMAR1EGFRERBB2
SCHEMBL27614321 0.76 KMT2A (0.49) KMT2AMEN1SIGMAR1SMN1; SMN2
SCHEMBL8084456 0.75 MMP1 (0.42) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL10137785 0.75 KMT2A (0.51) KMT2AMEN1EGFRERBB2EPHX1
SCHEMBL12002657 0.74 MEN1 (0.48) KMT2AMEN1SIGMAR1

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-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed
US-5827887-A 5-ALPHA REDUCTASE INHIBITORS ROUSSEL UCLAF (FR) 1998-10-27 US disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP disclosed