SCHEMBL7512433

SCHEMBL7512433

CC(C)(C)c1ccc2oc(CCC(=O)NCc3cccc(CN)c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAM17 P78536 1/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.38
TPSAB1 Q15661 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7518226 0.87 TSHR (0.48) POLBTSHRKMT2ARAB9ATP53
SCHEMBL7517870 0.86 LMNA (0.37) POLBSMN1; SMN2TSHRKMT2ARAB9A
SCHEMBL7516002 0.73 P2RY14 (0.39) KMT2ARAB9ATP53MAPT
SCHEMBL4905164 0.72 LOXL2 (0.55) POLBSMN1; SMN2KMT2ARAB9ATP53
SCHEMBL19953382 0.72 NPC1 (0.51) POLBSMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL7515762 0.70 TP53 (0.41) SMN1; SMN2KMT2ATP53LMNAHPGD
SCHEMBL8269717 0.69 TPSAB1 (0.60) TSHRKMT2ATPSAB1HPGDKDM4E
SCHEMBL13206786 0.68 TPSAB1 (0.70) TSHRKMT2ATPSAB1MAPTCYP1A2
SCHEMBL13206792 0.68 TPSAB1 (0.70) TSHRKMT2ATPSAB1MAPTCYP1A2
SCHEMBL11337498 0.67 NPC1 (0.47) POLBSMN1; SMN2KMT2ARAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007518-A4 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC (US) 2002-11-06 EP disclosed
EP-1007518-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR, INC. (US) 2000-06-14 EP disclosed
WO-1999009017-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC. (US) 1999-02-25 WO disclosed