SCHEMBL7778640

SCHEMBL7778640

O=[N+]([O-])c1ccc(OCCO)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
MAPT P10636 8/20 0.63
HPGD P15428 4/20 0.63
LMNA P02545 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.51
PDE7A Q13946 1/20 0.51
PTGDR2 Q9Y5Y4 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
SCHEMBL9264415 0.85 TSHR (0.67) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL6815842 0.84 MAPT (0.71) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL3857759 0.84 MAPT (0.63) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL3441911 0.83 MAPT (0.69) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL6816060 0.83 MAPT (0.73) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL29695817 0.83 TSHR (0.59) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL30764067 0.83 TSHR (0.59) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL4101417 0.83 TSHR (0.59) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL9794582 0.83 TSHR (0.59) RAB9AMAPTHPGDLMNASMN1; SMN2
SCHEMBL7866170 0.82 RAB9A (0.62) RAB9AMAPTHPGDLMNASMN1; 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
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed