SCHEMBL7093890

SCHEMBL7093890

Oc1ccc(-c2ncc(Cc3ccccc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGDS O60760 2/20 0.50
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
NTSR1 P30989 1/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
BCL2L1 Q07817 2/20 0.43
MMP3 P08254 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL8773270 0.83 RARB (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6534698 0.79 CYP1A2 (0.62) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL8056670 0.78 ESR1 (0.67) RAB9AMEN1KMT2AESR1ESR2
SCHEMBL21105334 0.77 HPGDS (0.53) NPC1RAB9AMEN1KMT2AHPGDS
SCHEMBL28489934 0.77 MEN1 (0.83) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7039574 0.77 MMP3 (0.68) MEN1KMT2AESR1ESR2BCL2L1
SCHEMBL2717740 0.76 CYP11B1 (0.65) NPC1RAB9AHPGDSNFKB1NFKB2
SCHEMBL11037432 0.76 RARB (0.49) NPC1RAB9AMEN1KMT2AHPGDS
SCHEMBL13371509 0.76 ESR1 (0.78) ESR1ESR2BCL2L1LMNACYP1A2
SCHEMBL87817 0.76 ESR1 (0.78) ESR1ESR2BCL2L1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868501-B1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING & MFG (US) 2003-08-13 EP disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
EP-0868501-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-07 EP disclosed
US-5658491-A CONTROLLING BRIGHTNESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US disclosed
WO-1997013822-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-17 WO disclosed