SCHEMBL6965451

SCHEMBL6965451

COc1nc(C)c(C(C)=O)cc1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.40
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL8699897 0.82 GAA (0.41) SMN1; SMN2GAAALOX15RAB9ACYP1A2
SCHEMBL6956204 0.82 SMN1; SMN2 (0.44) SMN1; SMN2GAARAB9ACYP1A2CYP2C9
SCHEMBL6956205 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GAARAB9ACYP1A2CYP2C9
SCHEMBL22595838 0.78 SMN1; SMN2 (0.59) SMN1; SMN2GAARAB9ACYP1A2CYP2C9
SCHEMBL14472219 0.76 SMN1; SMN2 (0.45) SMN1; SMN2GAAALOX15ALDH1A1MAPT
SCHEMBL6960822 0.75 KMT2A (0.42) SMN1; SMN2GAAALOX15ALDH1A1LMNA
SCHEMBL8594445 0.75 GRM1 (0.37) SMN1; SMN2GAAALOX15ALDH1A1MAPT
SCHEMBL6960317 0.74 RBP4 (0.47) SMN1; SMN2GAAALDH1A1LMNAMAPT
SCHEMBL6955729 0.73 PHGDH (0.51) SMN1; SMN2GAACYP1A2CYP2C9CYP2C19
SCHEMBL6960739 0.72 PHGDH (0.55) SMN1; SMN2GAACYP1A2CYP2C9CYP2C19

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
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed