SCHEMBL7597983

SCHEMBL7597983

CC(C)(C)c1ccc(-c2n[c][nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KIF11 P52732 3/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 2/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1D P28221 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL970721 0.75 RPA1 (0.47) NPC1RAB9ANOTUMPOLB
SCHEMBL7854347 0.75 METAP2 (0.42)
SCHEMBL604349 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBALOX15
SCHEMBL6680571 0.71 NPC1 (0.72) XDHNPC1RAB9AKIF11ALDH1A1
SCHEMBL12402151 0.70 HDAC3 (0.57) XDHNPC1RAB9AKIF11ALDH1A1
SCHEMBL1981034 0.70 NOTUM (0.44) NPC1RAB9AKIF11NOTUMPOLB
SCHEMBL13871684 0.69 NPC1 (0.69) XDHNPC1RAB9AKIF11ALDH1A1
SCHEMBL4125159 0.69 NPC1 (0.69) XDHNPC1RAB9AKIF11ALDH1A1
SCHEMBL14062481 0.68 NPC1 (0.54) XDHNPC1RAB9AKIF11ALDH1A1
SCHEMBL3413673 0.68 XDH (0.96) XDHNPC1RAB9AALDH1A1TP53

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-0919549-B1 3-(4-Tert-butylphenyl)-1H-1,2,4-trizaol-5-yl acetic acid and uses thereof, particularly for the preparation of photographic couplers FUJI PHOTO FILM CO LTD (JP) 2002-12-11 EP disclosed
EP-0805150-B1 A method for preparing 1H-1,2,4-triazol-5-yl acetic acid compounds, and the novel 3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl acetic acid FUJI PHOTO FILM CO LTD (JP) 2001-12-19 EP disclosed
EP-0919549-A1 3-(4-Tert-butylphenyl)-1H-1,2,4-trizaol-5-yl acetic acid and uses thereof, particularly for the preparation of photographic couplers FUJI PHOTO FILM CO., LTD. (JP) 1999-06-02 EP disclosed