SCHEMBL7950455

SCHEMBL7950455

CCC(C)Nc1c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.40
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4821114 0.92 KMT2A (0.39) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL8482833 0.88 MAPK1 (0.37) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL7831913 0.85 CRHR1 (0.36) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL7496223 0.84 ALDH1A1 (0.38) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5936228 0.82 CRHR1 (0.38) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL7958987 0.82 ALDH1A1 (0.36) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5498348 0.82 KMT2A (0.41) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL6185497 0.82 CRHR1 (0.44) CRHR1ALDH1A1LMNARAB9AHTT
SCHEMBL5378540 0.80 CRHR1 (0.38) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5229821 0.80 CRHR1 (0.38) CRHR1ALDH1A1LMNAGAARAB9A

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
US-6242451-B1 Fungicidal trihalophenyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT 2001-06-05 US claimed
US-5985883-A FUNGICIDAL ACTIVITY AGAINST RICE BLAST DISEASE AMERICAN CYANAMID COMPANY (US) 1999-11-16 US claimed
US-6242451-B1 Fungicidal trihalophenyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT 2001-06-05 US disclosed
US-5985883-A FUNGICIDAL ACTIVITY AGAINST RICE BLAST DISEASE AMERICAN CYANAMID COMPANY (US) 1999-11-16 US disclosed