SCHEMBL7979004

SCHEMBL7979004

O=C(Nc1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1csnn1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.71
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
ALDH1A1 P00352 6/20 0.71
LMNA P02545 3/20 0.55
TP53 P04637 4/20 0.52
HPGD P15428 2/20 0.52
JUN P05412 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.50
THRB P10828 2/20 0.50
KDR P35968 1/20 0.48
P2RX1 P51575 1/20 0.48

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
SCHEMBL6815350 0.92 MAPT (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815615 0.91 ALDH1A1 (0.81) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815063 0.90 ALDH1A1 (0.60) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6819388 0.90 MAPT (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6811902 0.90 MAPT (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815099 0.89 MAPT (0.65) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7745917 0.88 MAPT (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815587 0.88 MAPT (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814097 0.87 MAPT (0.58) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814080 0.87 MAPT (0.63) MAPTMEN1KMT2AALDH1A1LMNA

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
WO-2022234603-A1 SYNTHESIS OF NANODIAMONDS FROM ORGANIC COMPOUNDS RAY SIRSENDU SEKHAR (IN) 2022-11-10 WO disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed