SCHEMBL9729225

SCHEMBL9729225

O=C(CSc1ccccc1N1CCOCC1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
FKBP1A P62942 3/20 0.63
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL15916219 0.82 POLB (0.69) POLBFKBP1ACYP1A2CYP3A4CYP2C19
SCHEMBL29053021 0.74 HTT (0.48) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL6871740 0.71 LMNA (0.47) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL2770878 0.71 ALDH1A1 (0.53) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27304033 0.70 ALDH1A1 (0.47) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL14005042 0.70 SMN1; SMN2 (1.00) FKBP1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9729249 0.69 SMN1; SMN2 (0.61) POLBFKBP1AMEN1KMT2ANPSR1
SCHEMBL9424119 0.69 LMNA (0.62) POLBCYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL6037483 0.68 FKBP1A (0.58) POLBFKBP1AMEN1KMT2ASMN1; SMN2
SCHEMBL4461642 0.68 L3MBTL1 (0.53) POLBCYP1A2CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed