SCHEMBL8088254

SCHEMBL8088254

CN1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
KDR P35968 1/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
TGFBR2 P37173 1/20 0.43
BMPR2 Q13873 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACVR1 Q04771 1/20 0.42
TNIK Q9UKE5 1/20 0.42
MITF O75030 1/20 0.41
RAD52 P43351 1/20 0.41
KCNH2 Q12809 1/20 0.41
PLOD2 O00469 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
SCHEMBL8084676 0.90 CCNC (0.46) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL8084820 0.89 ALDH1A1 (0.47) KDRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL8084826 0.89 NPC1 (0.50) ADRA2CKDRALDH1A1LMNASMN1; SMN2
SCHEMBL8089852 0.89 ALDH1A1 (0.46) KDRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL8076727 0.88 MAPT (0.51) KDRACVR1BTGFBR1ALDH1A1LMNA
SCHEMBL8088295 0.88 MAPT (0.43) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL8084819 0.87 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CKDRALDH1A1
SCHEMBL8076752 0.87 MEN1 (0.42) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL8084112 0.87 MAPT (0.48) ADRA2AADRA2BADRA2CKDRALDH1A1
Hydrochloric Acid SCHEMBL8076732 0.86 ADRB2 (0.47) KDRACVR1BTGFBR1TGFBR2BMPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed