SCHEMBL28113541

SCHEMBL28113541

c1cc(C2=NCCS2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MGLL Q99685 3/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
POLB P06746 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
SCHEMBL21663870 0.69 MAPT (0.48) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL5777989 0.68 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL8378973 0.68 MGLL (0.43) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL21664123 0.68 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL10231621 0.67 LMNA (0.41) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL518175 0.67 LMNA (0.41) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL21664141 0.65 LMNA (0.34) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL6911993 0.65 NOS3 (0.31) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL6170485 0.64 CYP2A6 (0.50) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL18624160 0.63 CYP2A6 (0.43) LMNASMN1; SMN2ALDH1A1MAPTATM

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
CN-106316914-A Method for preparing 3-alkenylpyrrole derivatives 中国科学院大连化学物理研究所 2017-01-11 CN claimed
CN-106316914-A Method for preparing 3-alkenylpyrrole derivatives 中国科学院大连化学物理研究所 2017-01-11 CN disclosed