SCHEMBL8550339

SCHEMBL8550339

CCCCCc1nc2ccc(OCCN(CC)CCO)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
LSS P48449 2/20 0.46
ATP4A P20648 6/20 0.43
ATP4B P51164 6/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
AGER Q15109 1/20 0.38

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
SCHEMBL8548836 0.84 LMNA (0.56) LMNACYP1A2CYP2D6LSSATP4A
SCHEMBL8357907 0.82 LMNA (0.46) LMNACYP1A2CYP2D6ATP4AATP4B
SCHEMBL8361489 0.82 LMNA (0.52) LMNACYP1A2CYP2D6LSSCA1
SCHEMBL8361490 0.81 LMNA (0.53) LMNACYP1A2CYP2D6LSSCA1
SCHEMBL8552900 0.81 LMNA (0.53) LMNACYP1A2CYP2D6LSSCA1
SCHEMBL8552033 0.80 LMNA (0.52) LMNACYP1A2CYP2D6LSSATP4A
SCHEMBL8357719 0.80 LMNA (0.58) LMNACYP1A2CYP2D6LSSATP4A
SCHEMBL8551954 0.79 LMNA (0.50) LMNACYP1A2CYP2D6LSSATP4A
SCHEMBL8551252 0.79 LMNA (0.50) LMNACYP1A2CYP2D6LSSATP4A
SCHEMBL8361499 0.78 LMNA (0.61) LMNACYP1A2CYP2D6ATP4AATP4B

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
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed