SCHEMBL10372017

SCHEMBL10372017

Cn1c(-c2cccnc2)c(C=CCCCC(=O)O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.57
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP11B2 P19099 2/20 0.50
TEK Q02763 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR1 P25103 1/20 0.40
TBXA2R P21731 1/20 0.39
EGFR P00533 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
SCHEMBL10372015 1.00 TBXAS1 (0.57) TBXAS1POLBMAPTSMN1; SMN2CYP11B2
Hydrochloric Acid SCHEMBL10986112 0.99 TBXAS1 (0.56) TBXAS1POLBMAPTSMN1; SMN2CYP11B2
Hydrochloric Acid SCHEMBL10373076 0.99 TBXAS1 (0.56) TBXAS1POLBMAPTSMN1; SMN2CYP11B2
SCHEMBL7803212 0.82 CYP11B2 (0.59) TBXAS1POLBMAPTSMN1; SMN2CYP11B2
SCHEMBL9768495 0.80 TBXAS1 (0.76) TBXAS1CYP11B2ALDH1A1HSD17B10TACR1
SCHEMBL10373326 0.80 TBXAS1 (0.76) TBXAS1CYP11B2ALDH1A1HSD17B10TACR1
SCHEMBL10375582 0.80 TBXAS1 (0.76) TBXAS1CYP11B2ALDH1A1HSD17B10TACR1
SCHEMBL7809643 0.79 CYP11B2 (0.49) TBXAS1POLBMAPTSMN1; SMN2CYP11B2
SCHEMBL7803071 0.77 MAPT (0.54) TBXAS1POLBMAPTSMN1; SMN2CYP11B2
SCHEMBL10373114 0.76 TBXAS1 (0.55) TBXAS1POLBMAPTSMN1; SMN2CYP11B2

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-0129051-B1 SUBSTITUTED INDOLES CIBA-GEIGY AG (CH) 1990-07-04 EP disclosed
US-4511573-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1985-04-16 US disclosed
EP-0129051-A2 Substituted indoles CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed