SCHEMBL9256828

SCHEMBL9256828

COC(=O)CCn1nnc(-c2ccc(-c3ccc(C#N)cc3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
HSD17B10 Q99714 2/20 0.68
HPGD P15428 2/20 0.68
TP53 P04637 2/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
AOC3 Q16853 2/20 0.56
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL9259216 0.81 TSHR (0.68) TSHRHSD17B10HPGDTP53GAA
Hydrochloric Acid SCHEMBL9254256 0.80 TSHR (0.67) TSHRHSD17B10HPGDTP53GAA
SCHEMBL9252550 0.79 TP53 (0.67) TSHRHSD17B10HPGDTP53GAA
SCHEMBL9253975 0.78 HPGD (0.49) TSHRHSD17B10HPGDTP53GAA
SCHEMBL6324652 0.72 HPGD (0.63) TSHRHSD17B10HPGDTP53GAA
SCHEMBL3628694 0.72 CYP11B1 (0.56) TSHRHSD17B10HPGDMAPTALDH1A1
SCHEMBL8408009 0.71 KCNA5 (0.56) TSHRHPGDSMN1; SMN2USP2CYP1A2
Hydrochloric Acid SCHEMBL3628690 0.71 CYP11B1 (0.55) TSHRHSD17B10HPGDMAPTALDH1A1
SCHEMBL7153866 0.70 ALDH1A1 (0.62) TSHRMAPTAOC3ALDH1A1RAB9A
SCHEMBL7275473 0.70 CYP11B1 (0.42) MAPTLMNAKMT2A

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed