SCHEMBL8871124

SCHEMBL8871124

CCn1ncc(C(=O)c2ccc3c(c2C)/C(=N/OC)CCS3)c1O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8871127 1.00 POLB (0.32) POLBGAAMAPTRAB9ASMN1; SMN2
SCHEMBL7685463 0.90
SCHEMBL8871769 0.86 KDM4E (0.31) MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL8871773 0.86 KDM4E (0.31) MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL8545731 0.84 RAB9A (0.33) MAPTRAB9ASMN1; SMN2
SCHEMBL8545729 0.84 RAB9A (0.33) MAPTRAB9ASMN1; SMN2
SCHEMBL7550604 0.83 SMN1; SMN2 (0.34) GAARAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8594774 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8460276 0.81 POLB (0.32) POLBRAB9ASMN1; SMN2LMNA
SCHEMBL8460273 0.81 POLB (0.32) POLBRAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506194-A CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-09 US claimed
US-5591868-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN CO., LTD. (JP) 1997-01-07 US disclosed
US-5506194-A CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-09 US disclosed