SCHEMBL7910056

SCHEMBL7910056

O=C1NCCNN1c1ccc(Cc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MAOB P27338 1/20 0.34
DAO P14920 2/20 0.34
DYRK1A Q13627 1/20 0.33
CETP P11597 1/20 0.33
DRD4 P21917 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7922614 0.79 ALDH1A1 (0.33) MEN1KMT2AALDH1A1PDE3BPDE3A
SCHEMBL7917021 0.72 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7919786 0.72 DHODH (0.36) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL7922604 0.71 GAA (0.40) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL7910299 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11722438 0.68 IDO1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7922620 0.68 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7922545 0.67 THRB (0.37) ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL7919718 0.67 POLB (0.32) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7910301 0.66 POLB (0.34) MEN1KMT2AMAPTHPGD

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
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed