SCHEMBL7654956

SCHEMBL7654956

CC(C)(C)OC(=O)C(C)(C)c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NR1H2 P55055 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PBRM1 Q86U86 1/20 0.36
DDX3X O00571 1/20 0.36
CYP3A4 P08684 2/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
PTGS1 P23219 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 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
SCHEMBL7878585 0.85 TSHR (0.42) TSHRMAPK1ALDH1A1NR1H2PBRM1
SCHEMBL1068045 0.85 CNR1 (0.50) TSHRMAPK1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6825713 0.81 TSHR (0.47) TSHRMAPK1MAPTKMT2AALDH1A1
SCHEMBL6161136 0.81 CNR2 (0.50) TSHRMAPK1MAPTKMT2AALDH1A1
SCHEMBL3618566 0.80 KCNN4 (0.39) TSHRMAPK1KMT2AALDH1A1NR1H2
SCHEMBL31237128 0.80 KMT2A (0.41) MAPK1MAPTKMT2AALDH1A1NPC1
SCHEMBL19733460 0.79 TSHR (0.48) TSHRMAPK1MAPTKMT2AALDH1A1
SCHEMBL15271906 0.79 MAPT (0.62) TSHRMAPK1MAPTKMT2AALDH1A1
SCHEMBL24553939 0.79 MAPT (0.41) MAPK1MAPTKMT2AALDH1A1NR1H2
SCHEMBL3200118 0.76 GAA (0.42) TSHRMAPK1KMT2AALDH1A1DDX3X

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
CN-1150172-C 1,5 benzodiazepine derivatives ������ҩ��ҵ��ʽ���� 2004-05-19 CN disclosed
US-6344452-B1 GASTRIN RECEPTOR ANTAGONIST, GASTROINTESTINAL DISORDERS, ETC ZERIA PHARMACEUTICALS CO., LTD. (JP) 2002-02-05 US disclosed
CN-1307567-A 1,5 benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2001-08-08 CN disclosed
EP-1085014-A1 1,5-BENZODIAZEPINE DERIVATIVES Zeria Pharmaceutical Co., Ltd. (JP) 2001-03-21 EP disclosed