SCHEMBL27489840

SCHEMBL27489840

NCc1ccccc1C1=NCCO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 3/20 0.44
PNMT P11086 2/20 0.38
KCNN4 O15554 1/20 0.35
MMP12 P39900 1/20 0.35
ATR Q13535 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL11666754 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL1844578 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL29420719 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL218213 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL10438953 0.81 SMN1; SMN2 (0.36) SMN1; SMN2PNMTKCNN4MMP12
SCHEMBL961056 0.80 SMN1; SMN2 (0.49) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL381604 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL18716521 0.78 AKR1B1 (0.43) SMN1; SMN2KCNN4
SCHEMBL29825088 0.77 ALDH1A1 (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL7452092 0.77 ALDH1A1 (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831734-B A kind of and agromycin A total synthesis method 中国医学科学院医药生物技术研究所 2019-09-03 CN claimed
CN-103003231-A Novel method for preparing phenylcyclopropylamine derivatives and use thereof for preparing ticagrelor ACTAVIS GROUP PTC EHF 2013-03-27 CN disclosed
CN-1259322-C Asymmetric copper compound and cyclopropanation reaction with it SUMITOMO CHEMICAL CO (JP) 2006-06-14 CN disclosed
CN-1231456-C Process for preparing optically active cyclopropyl carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2005-12-14 CN disclosed
CN-1480448-A Process for preparing optically active cyclopropyl carboxylic acid derivative ס�ѻ�ѧ��ҵ��ʽ���� 2004-03-10 CN disclosed
CN-1134422-C Optically active bisoxazoline compounds, process for their preparation and their use ������������ʽ���� 2004-01-14 CN disclosed
CN-1384105-A Asymmetric copper compound and cyclopropanation reaction with it SUMITOMO CHEMICAL CO (JP) 2002-12-11 CN disclosed
CN-1210858-A Optically active bisoxazoline compounds, process for their preparation and their use SUMITOMO CHEMICAL CO (JP) 1999-03-17 CN disclosed