SCHEMBL16401985

SCHEMBL16401985

c1ccc2c(c1)CSC(SSC1CCCCC1)=N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 4/20 0.43
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NOS1 P29475 2/20 0.32
CYP2D6 P10635 1/20 0.31
RECQL P46063 1/20 0.31
ACHE P22303 4/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
BCHE P06276 2/20 0.30

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
SCHEMBL11706723 0.71 NPC1 (0.49) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL576058 0.64 TXN (0.49) TXNKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3022267 0.63 KMT2A (0.51) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL22782149 0.63 NPC1 (0.54) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL3703843 0.63 NPC1 (0.51) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL575893 0.62 HPGD (0.48) TXNKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5729337 0.62 KMT2A (0.43) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL22882906 0.62 EHMT2 (0.55) TXNKMT2ANPC1RAB9AMEN1
SCHEMBL5729334 0.62 NPC1 (0.46) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL29601254 0.62 EHMT2 (0.55) TXNKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129811-B2 Methods and compositions to prevent or treat bacterial infections BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-28 US claimed
US-10398682-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-03 US claimed
US-20160151333-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-06-02 US claimed
US-11129811-B2 Methods and compositions to prevent or treat bacterial infections BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-28 US disclosed
US-10478485-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-11-19 US disclosed
US-10398682-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-03 US disclosed
US-20180193442-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-07-12 US disclosed
WO-2017004545-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2017-01-05 WO disclosed
US-20160151333-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-06-02 US disclosed
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 WO disclosed