SCHEMBL6955733

SCHEMBL6955733

O=C1CC=C(c2ccccc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.34
PARP1 P09874 1/20 0.34
PRKDC P78527 1/20 0.33
MAT2A P31153 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GALR1 P47211 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CES1 P23141 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
SCHEMBL11917085 0.86 SRD5A1 (0.33) MEN1KMT2ACES1
Ethylene SCHEMBL8607437 0.83 SRD5A1 (0.31) MAT2ACES1
SCHEMBL20011078 0.79 CCNT1 (0.40) KDM4EMEN1KMT2APARP1HPGD
SCHEMBL8631678 0.78 CYP2A6 (0.38) KDM4EPTPRCMAPTNOTUMNPC1
SCHEMBL20010828 0.78 MAT2A (0.38) KDM4EMEN1KMT2AMAPTNOTUM
SCHEMBL20010392 0.77 RORC (0.42) MEN1KMT2ANOTUMPRKDCHPGD
SCHEMBL20011427 0.76 S100A4 (0.36) KMT2APARP1
SCHEMBL29277524 0.76 NISCH (0.38) KDM4EMEN1KMT2APTPRCPTPN1
SCHEMBL20010408 0.75 PTPN1 (0.40) KDM4EMEN1KMT2APTPN1MAPT
SCHEMBL10198086 0.74 MAT2A (0.45) MEN1KMT2AMAPTNOTUMMAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed