SCHEMBL7865262

SCHEMBL7865262

Fc1ccc2[nH]c(-c3cc4ccccc4s3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
FLT3 P36888 1/20 0.46
ITK Q08881 2/20 0.45
CYP1A1 P04798 2/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
APP P05067 2/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1298270 0.84 RAB9A (0.53) MAPTITKAPPKDM4EALDH1A1
SCHEMBL17433387 0.82 CYP19A1 (0.58) MAPTAPPKDM4EALDH1A1LMNA
SCHEMBL4472858 0.79 APP (0.49) APPCLK1DYRK1ACYP1A2CYP2A6
SCHEMBL22955636 0.75 NPC1 (0.43) MAPTITKHTR2AHTR2CAPP
SCHEMBL8309554 0.75 MAPT (1.00) MAPTFLT3ITKCYP1A1ATP4A
SCHEMBL4887738 0.74 KDM4E (0.64) MAPTFLT3ITKCYP1A1KDM4E
SCHEMBL17433476 0.73 ESR1 (0.47) ITKAPPCYP2A6NPC1RAB9A
Methane SCHEMBL28844909 0.72 KDM4E (0.62) MAPTFLT3ITKCYP1A1KDM4E
SCHEMBL10831846 0.72 CYP1A1 (0.61) MAPTFLT3ITKCYP1A1KDM4E
SCHEMBL28073052 0.72 APP (0.68) MAPTAPPALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097460-C Cytotoxic amino sugars and related sugar derivatives of indolopyrrolocarbazoles BRISTOL MYERS SQUIBB CO (US) 2003-01-01 CN disclosed
EP-0971717-B1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
EP-0971717-A4 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2000-04-12 EP disclosed
EP-0971717-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES Bristol-Myers Squibb Company (US) 2000-01-19 EP disclosed
CN-1228704-A Cytotoxic amino sugars and related sugar derivatives of indolopyrrolocarbazoles BRISTOL MYERS SQUIBB CO (US) 1999-09-15 CN disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 WO disclosed