SCHEMBL13715228

SCHEMBL13715228

CCc1cccc2c(C)c[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
REN P00797 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.45
ATM Q13315 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11100886 0.85 HTR2A (0.46) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL14667559 0.84 ALDH1A1 (0.60) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL27911679 0.81 GPR84 (0.59) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL28938665 0.79 ALDH1A1 (0.55) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL31302644 0.79 ALDH1A1 (0.55) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1137607 0.79 PARP1 (0.51) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13715349 0.78 HTT (0.54) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4223523 0.77 MPO (0.58) ALDH1A1LMNAHTTMAPTHTR2A
SCHEMBL31607554 0.77 TRIM24 (0.60) RENMAPTHTR2AATMSMN1; SMN2
SCHEMBL2143637 0.77 TRIM24 (0.60) RENMAPTHTR2AATMSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017214458-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
CN-103214408-B A kind of method of synthesizing bisindole methane derivative NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-09-30 CN disclosed
CN-103214408-A Method for synthesizing bisindole methane derivative UNIV NANJING SCIENCE & TECH 2013-07-24 CN disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed