SCHEMBL7599320

SCHEMBL7599320

ClCCCc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
NCF1 P14598 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.41
FERMT2 Q96AC1 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
Hydrochloric Acid SCHEMBL28182640 0.98 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7747842 0.90 LOXL2 (0.60) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2333461 0.88 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2331919 0.88 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL15155439 0.87 CYP19A1 (0.53) LOXL2CYP3A4HIF1AKDM4EALDH1A1
SCHEMBL336172 0.83 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL453732 0.83 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7358307 0.83 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL4870247 0.83 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2237676 0.83 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A

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-104693198-B 3 (1,2,4 triazoles simultaneously [4,3 a] 3 base of pyridine) 4 (3 base of 1H indoles) maleimide analog derivative and its preparation method and application 浙江工业大学 2017-03-08 CN claimed
CN-104513252-B Substituted urea derivative and its application in medicine 广东东阳光药业有限公司 2017-11-10 CN disclosed
CN-1178951-C Noval erythromycin derivative, method for preparing and use thereof as drugs ���˹��ء���³�� 2004-12-08 CN disclosed
EP-0931088-B1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS AVENTIS PHARMA SA (FR) 2002-10-09 EP disclosed
US-6162793-A Erythromycin derivatives, method for preparing same and use thereof as drugs HOECHST MARION ROUSSEL (FR) 2000-12-19 US disclosed
CN-1226252-A Noval erythromycin derivative, method for preparing and use thereof as drugs HERST MARIEN RUSO COMPANY (FR) 1999-08-18 CN disclosed
EP-0931088-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS HOECHST MARION ROUSSEL (FR) 1999-07-28 EP disclosed
WO-1998003530-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS HOECHST MARION ROUSSEL (FR) 1998-01-29 WO disclosed