SCHEMBL7707461

SCHEMBL7707461

COc1cc(COC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc(OC)c1OC.COc1ccc(CCOC2=NC=C[C@@H](CC#N)N2c2nc3ccccc3s2)cc1.N#CCC1C=CN=C(OCc2cccc(-c3ccccc3)c2)N1c1nc2ccccc2s1.N#CCC1C=CN=C(OCc2cccnc2)N1c1nc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
F2RL3 Q96RI0 1/20 0.32
MAOB P27338 1/20 0.31
CYP19A1 P11511 1/20 0.31
PDE10A Q9Y233 1/20 0.30
LMNA P02545 3/20 0.30
MAPT P10636 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RET P07949 1/20 0.30
RAB9A P51151 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
POLB P06746 1/20 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
SCHEMBL4197970 0.82 GPX4 (0.35) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4203402 0.82 RAB9A (0.43) PDE10ALMNAMAPTMEN1KMT2A
SCHEMBL7707665 0.81 NAAA (0.39) CYP11B1CYP11B2PDE10ALMNAMAPT
SCHEMBL5613944 0.80 MAPK8 (0.38) CYP11B1CYP11B2CYP19A1LMNAMEN1
SCHEMBL4192595 0.80 MAPK9 (0.36) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL7707025 0.79 NAAA (0.32) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL7707443 0.79 RAB9A (0.44) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4192500 0.78 NAAA (0.42) PDE10ALMNAMAPTALDH1A1RAB9A
SCHEMBL7710188 0.77 LMNA (0.40) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4190547 0.74 MAPK9 (0.39) LMNAMAPTMEN1KMT2ASMN1; SMN2

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-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed