SCHEMBL9364310

SCHEMBL9364310

C=C(Cc1ccccc1)Cn1cncn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.57
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL10810480 0.81 CYP19A1 (0.57) CYP19A1HSP90AA1MEN1KMT2ASMN1; SMN2
SCHEMBL10508172 0.78 EGLN3 (0.45) CYP19A1HSP90AA1MAPT
SCHEMBL11246598 0.77 CYP19A1 (0.59) CYP19A1HSP90AA1MEN1KMT2ASMN1; SMN2
SCHEMBL2917482 0.73 CYP19A1 (1.00) CYP19A1HSP90AA1LMNANPC1RAB9A
SCHEMBL23219686 0.73 EGLN3 (0.42) CYP19A1HSP90AA1MEN1KMT2AMAPT
SCHEMBL10247229 0.72 HMOX1 (0.61) CYP19A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9382670 0.72 CYP19A1 (0.96) CYP19A1HSP90AA1LMNANPC1RAB9A
SCHEMBL9023539 0.71 CYP19A1 (0.86) CYP19A1HSP90AA1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL411908 0.71 HMOX1 (0.59) CYP19A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7138301 0.70 CYP19A1 (0.67) CYP19A1HSP90AA1MEN1KMT2ALMNA

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
EP-0455052-B1 5-(1,2,4-Triazol-l-ylmethyl)-isoxazoline BASF AG (DE) 1994-07-27 EP disclosed
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
EP-0455052-A1 5-(1,2,4-Triazol-l-ylmethyl)-isoxazoline BASF Aktiengesellschaft (DE) 1991-11-06 EP disclosed