SCHEMBL16058772

SCHEMBL16058772

CC1C(=O)N(C)Oc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HCRTR2 O43614 1/20 0.34
BRD4 O60885 1/20 0.33
AHR P35869 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
AR P10275 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP19A1 P11511 1/20 0.33
S100A4 P26447 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
AKR1B1 P15121 1/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL10691384 0.76 BRD4 (0.45) MEN1KMT2ABRD4TSHROPRM1
SCHEMBL24148135 0.71 MEN1 (0.57) MEN1KMT2AALDH1A1TSHROPRM1
SCHEMBL7341973 0.71 PDE3B (0.53)
SCHEMBL7341554 0.69 CYP1A2 (0.35) KMT2ABRD4ALDH1A1LMNACYP1A2
SCHEMBL29704482 0.68 MEN1 (0.47) MEN1KMT2ABRD4ALDH1A1TSHR
SCHEMBL19644092 0.68 MEN1 (0.47) MEN1KMT2ABRD4ALDH1A1TSHR
SCHEMBL10694040 0.63 HPGD (0.47) MEN1KMT2AALDH1A1
SCHEMBL31426217 0.62 PBRM1 (0.58) PBRM1MEN1KMT2AAHRALDH1A1
SCHEMBL29891547 0.62 PGR (0.53) BRD4ALDH1A1LMNAPOLB
SCHEMBL3519770 0.62 PGR (0.53) BRD4ALDH1A1LMNAPOLB

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
WO-2014143617-A1 DEUTERIUM-ENRICHED TANAPROGET AND PROCESSES FOR ITS PREPARATION TEVA WOMEN'S HEALTH, INC. (US) 2014-09-18 WO claimed
WO-2014143617-A1 DEUTERIUM-ENRICHED TANAPROGET AND PROCESSES FOR ITS PREPARATION TEVA WOMEN'S HEALTH, INC. (US) 2014-09-18 WO disclosed