SCHEMBL28833095

SCHEMBL28833095

[CH2]CN1CCNc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PIM1 P11309 1/20 0.38
AVPR1A P37288 1/20 0.38
BRD4 O60885 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 1/20 0.37
BRPF1 P55201 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL28092813 0.86 EPHX2 (0.40) EPHX2PIM1AVPR1ABRD4MEN1
SCHEMBL28092696 0.83 EPHX2 (0.38) EPHX2PIM1AVPR1ABRD4MEN1
SCHEMBL4793671 0.81 BRD4 (0.41) EPHX2PIM1AVPR1ABRD4MEN1
SCHEMBL30910112 0.80 EPHX2 (0.55) EPHX2AVPR1ABRD4MEN1KMT2A
SCHEMBL6419724 0.80 EPHX2 (0.55) EPHX2AVPR1ABRD4MEN1KMT2A
SCHEMBL30910110 0.80 EPHX2 (0.55) EPHX2AVPR1ABRD4MEN1KMT2A
SCHEMBL9111246 0.79 MEN1 (0.33) EPHX2PIM1AVPR1ABRD4MEN1
SCHEMBL14497763 0.79 MEN1 (0.49) EPHX2PIM1AVPR1ABRD4MEN1
SCHEMBL30910128 0.77 MEN1 (0.41) EPHX2PIM1AVPR1ABRD4MEN1
SCHEMBL30910141 0.77 AVPR1A (0.41) EPHX2PIM1AVPR1ABRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029076-A Benzopiperazine compositions as BET bromodomain inhibitors 福马疗法公司 2016-10-12 CN claimed
CN-106029076-B Benzo piperazine composition as BET bromine domain inhibitor 福马疗法公司 2019-06-07 CN disclosed
CN-106029076-A Benzopiperazine compositions as BET bromodomain inhibitors 福马疗法公司 2016-10-12 CN disclosed