SCHEMBL7753765

SCHEMBL7753765

COc1cc(N=C(NC#N)NC2CCCC2)cc(C(F)(F)F)c1.COc1cc(N=C(NC#N)Oc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
P2RX7 Q99572 2/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
IMPDH2 P12268 1/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.32
CETP P11597 2/20 0.32
MAPT P10636 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 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
SCHEMBL7753761 1.00 KMT2A (0.41) KMT2AP2RX7RAB9ANPC1ALDH1A1
SCHEMBL8138719 0.89 KMT2A (0.40) KMT2AP2RX7RAB9ANPC1ALDH1A1
SCHEMBL8138717 0.89 KMT2A (0.40) KMT2AP2RX7RAB9ANPC1ALDH1A1
SCHEMBL7759723 0.87 KMT2A (0.53) KMT2AP2RX7IMPDH2MAPTADCY8
SCHEMBL7759717 0.87 KMT2A (0.53) KMT2AP2RX7IMPDH2MAPTADCY8
SCHEMBL7756420 0.79 KMT2A (0.60) KMT2AIMPDH2MAPTGAA
SCHEMBL5803661 0.79 KIF11 (0.39) KMT2ASMN1; SMN2MEN1CETPMAPT
SCHEMBL7756397 0.75 LMNA (0.47) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7753800 0.73 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10578986 0.70 SMN1; SMN2 (0.41) KMT2ARAB9ANPC1ALDH1A1SMN1; 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-1077933-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
WO-1999058497-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed